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

C4H8N6O — CID 7017683

IUPAC2-(3-amino-1,2,4-triazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C4H8N6O/c5-4-7-2-10(9-4)1-3(11)8-6/h2H,1,6H2,(H2,5,9)(H,8,11)
InChIKeyACGVQDFRGRKMGS-UHFFFAOYSA-N
MW156.15 g/mol
LogP-2.15
Rot. Bonds2

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

2-(3-amino-1,2,4-triazol-1-yl)acetohydrazide (PubChem CID 7017683) has the molecular formula C4H8N6O and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)acetohydrazide
PubChem CID7017683
Molecular FormulaC4H8N6O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C4H8N6O/c5-4-7-2-10(9-4)1-3(11)8-6/h2H,1,6H2,(H2,5,9)(H,8,11)
InChIKeyACGVQDFRGRKMGS-UHFFFAOYSA-N
XLogP-2.15
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-2.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-amino-1,2,4-triazol-1-yl)acetohydrazide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)acetohydrazide (CID 7017683) is 2-(3-amino-1,2,4-triazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)acetohydrazide is NNC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)acetohydrazide?
The InChIKey is ACGVQDFRGRKMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6O/c5-4-7-2-10(9-4)1-3(11)8-6/h2H,1,6H2,(H2,5,9)(H,8,11).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)acetohydrazide?
2-(3-amino-1,2,4-triazol-1-yl)acetohydrazide has a molecular weight of 156.15 g/mol, XLogP of -2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)acetohydrazide is sourced from PubChem (CID 7017683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).