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

C5H9N5O — CID 45122778

IUPAC2-(1,2,4-triazol-1-yl)propanehydrazide
SMILESCC(C(=O)NN)n1cncn1
InChIInChI=1S/C5H9N5O/c1-4(5(11)9-6)10-3-7-2-8-10/h2-4H,6H2,1H3,(H,9,11)
InChIKeyHPYLBLKDEWZBMN-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.17
Rot. Bonds2

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

2-(1,2,4-triazol-1-yl)propanehydrazide (PubChem CID 45122778) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)propanehydrazide
PubChem CID45122778
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name2-(1,2,4-triazol-1-yl)propanehydrazide
SMILESCC(C(=O)NN)n1cncn1
InChIInChI=1S/C5H9N5O/c1-4(5(11)9-6)10-3-7-2-8-10/h2-4H,6H2,1H3,(H,9,11)
InChIKeyHPYLBLKDEWZBMN-UHFFFAOYSA-N
XLogP-1.17
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1,2,4-triazol-1-yl)propanehydrazide?
The IUPAC name of 2-(1,2,4-triazol-1-yl)propanehydrazide (CID 45122778) is 2-(1,2,4-triazol-1-yl)propanehydrazide.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)propanehydrazide?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)propanehydrazide is CC(C(=O)NN)n1cncn1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)propanehydrazide?
The InChIKey is HPYLBLKDEWZBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-4(5(11)9-6)10-3-7-2-8-10/h2-4H,6H2,1H3,(H,9,11).
What are the key properties of 2-(1,2,4-triazol-1-yl)propanehydrazide?
2-(1,2,4-triazol-1-yl)propanehydrazide has a molecular weight of 155.16 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)propanehydrazide is sourced from PubChem (CID 45122778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).