8012-0089 Screening compound: 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one

8012-0089 Screening compound: 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one
8012-0089 Screening compound: 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0089
5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8012-0089

Molecular Formula

C2H2N4O3 (C2 H2 N4 O3)

Compound Name

5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one

IUPAC name

3-nitro-45-dihydro-1H-124-triazol-5-one

SMILES

[O-][N+](C(N1)=NNC1=O)=O

InChI

InChI=1S/C2H2N4O3/c7-2-3-1(4-5-2)6(8)9/h(H2,3,4,5,7)

InChI Key

QJTIRVUEVSKJTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00511298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

130.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.416

Distribution Coefficient, logD

-6.145

Water Solubility, LogSw

-1.22

Polar Surface Area

82.412

Acid Dissociation Constant (pKa)

1.67

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8012-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0089?
Check Price and Availability of 8012-0089, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8012-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0089
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8012-0089 available by request