5-methyl-1H-1,2,4-triazole-3-carbohydrazide

C4H7N5O — CID 12890301

IUPAC5-methyl-1H-1,2,4-triazole-3-carbohydrazide
SMILESCc1nc(C(=O)NN)n[nH]1
InChIInChI=1S/C4H7N5O/c1-2-6-3(9-8-2)4(10)7-5/h5H2,1H3,(H,7,10)(H,6,8,9)
InChIKeySFVLQYWMUCPORB-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.28
Rot. Bonds1

About 5-methyl-1H-1,2,4-triazole-3-carbohydrazide

5-methyl-1H-1,2,4-triazole-3-carbohydrazide (PubChem CID 12890301) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-methyl-1H-1,2,4-triazole-3-carbohydrazide.

Molecular Properties

Compound Name5-methyl-1H-1,2,4-triazole-3-carbohydrazide
PubChem CID12890301
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name5-methyl-1H-1,2,4-triazole-3-carbohydrazide
SMILESCc1nc(C(=O)NN)n[nH]1
InChIInChI=1S/C4H7N5O/c1-2-6-3(9-8-2)4(10)7-5/h5H2,1H3,(H,7,10)(H,6,8,9)
InChIKeySFVLQYWMUCPORB-UHFFFAOYSA-N
XLogP-1.28
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 5-methyl-1H-1,2,4-triazole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-1,2,4-triazole-3-carbohydrazide?
The IUPAC name of 5-methyl-1H-1,2,4-triazole-3-carbohydrazide (CID 12890301) is 5-methyl-1H-1,2,4-triazole-3-carbohydrazide.
What is the SMILES notation for 5-methyl-1H-1,2,4-triazole-3-carbohydrazide?
The canonical SMILES for 5-methyl-1H-1,2,4-triazole-3-carbohydrazide is Cc1nc(C(=O)NN)n[nH]1.
What is the InChIKey of 5-methyl-1H-1,2,4-triazole-3-carbohydrazide?
The InChIKey is SFVLQYWMUCPORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c1-2-6-3(9-8-2)4(10)7-5/h5H2,1H3,(H,7,10)(H,6,8,9).
What are the key properties of 5-methyl-1H-1,2,4-triazole-3-carbohydrazide?
5-methyl-1H-1,2,4-triazole-3-carbohydrazide has a molecular weight of 141.13 g/mol, XLogP of -1.28, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-1,2,4-triazole-3-carbohydrazide is sourced from PubChem (CID 12890301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).