2-(3-cyano-1,2,4-triazol-1-yl)propanehydrazide

C6H8N6O — CID 63580014

IUPAC2-(3-cyano-1,2,4-triazol-1-yl)propanehydrazide
SMILESCC(C(=O)NN)n1cnc(C#N)n1
InChIInChI=1S/C6H8N6O/c1-4(6(13)10-8)12-3-9-5(2-7)11-12/h3-4H,8H2,1H3,(H,10,13)
InChIKeyCWZPNFFGLZYXFC-UHFFFAOYSA-N
MW180.17 g/mol
LogP-1.30
Rot. Bonds2

About 2-(3-cyano-1,2,4-triazol-1-yl)propanehydrazide

2-(3-cyano-1,2,4-triazol-1-yl)propanehydrazide (PubChem CID 63580014) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-1-yl)propanehydrazide
PubChem CID63580014
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name2-(3-cyano-1,2,4-triazol-1-yl)propanehydrazide
SMILESCC(C(=O)NN)n1cnc(C#N)n1
InChIInChI=1S/C6H8N6O/c1-4(6(13)10-8)12-3-9-5(2-7)11-12/h3-4H,8H2,1H3,(H,10,13)
InChIKeyCWZPNFFGLZYXFC-UHFFFAOYSA-N
XLogP-1.30
TPSA109.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
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-cyano-1,2,4-triazol-1-yl)propanehydrazide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)propanehydrazide (CID 63580014) is 2-(3-cyano-1,2,4-triazol-1-yl)propanehydrazide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-1-yl)propanehydrazide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-1-yl)propanehydrazide is CC(C(=O)NN)n1cnc(C#N)n1.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-1-yl)propanehydrazide?
The InChIKey is CWZPNFFGLZYXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O/c1-4(6(13)10-8)12-3-9-5(2-7)11-12/h3-4H,8H2,1H3,(H,10,13).
What are the key properties of 2-(3-cyano-1,2,4-triazol-1-yl)propanehydrazide?
2-(3-cyano-1,2,4-triazol-1-yl)propanehydrazide has a molecular weight of 180.17 g/mol, XLogP of -1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-1-yl)propanehydrazide is sourced from PubChem (CID 63580014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).