2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide

C4H6N6O3 — CID 3877416

IUPAC2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1cnc([N+](=O)[O-])n1
InChIInChI=1S/C4H6N6O3/c5-7-3(11)1-9-2-6-4(8-9)10(12)13/h2H,1,5H2,(H,7,11)
InChIKeyJBMRIQFRAFGFKN-UHFFFAOYSA-N
MW186.13 g/mol
LogP-1.82
Rot. Bonds3

About 2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide

2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide (PubChem CID 3877416) has the molecular formula C4H6N6O3 and a molecular weight of 186.13 g/mol. Its IUPAC name is 2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide
PubChem CID3877416
Molecular FormulaC4H6N6O3
Molecular Weight186.13 g/mol
Exact Mass186.05
IUPAC Name2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1cnc([N+](=O)[O-])n1
InChIInChI=1S/C4H6N6O3/c5-7-3(11)1-9-2-6-4(8-9)10(12)13/h2H,1,5H2,(H,7,11)
InChIKeyJBMRIQFRAFGFKN-UHFFFAOYSA-N
XLogP-1.82
TPSA128.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 5-1.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide?
The IUPAC name of 2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide (CID 3877416) is 2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide is NNC(=O)Cn1cnc([N+](=O)[O-])n1.
What is the InChIKey of 2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide?
The InChIKey is JBMRIQFRAFGFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N6O3/c5-7-3(11)1-9-2-6-4(8-9)10(12)13/h2H,1,5H2,(H,7,11).
What are the key properties of 2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide?
2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide has a molecular weight of 186.13 g/mol, XLogP of -1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide is sourced from PubChem (CID 3877416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).