2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutanehydrazide

C9H17N5O — CID 63577839

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutanehydrazide
SMILESCc1nc(C)n(C(C(=O)NN)C(C)C)n1
InChIInChI=1S/C9H17N5O/c1-5(2)8(9(15)12-10)14-7(4)11-6(3)13-14/h5,8H,10H2,1-4H3,(H,12,15)
InChIKeyYQCBSFUQFSAIFS-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.08
Rot. Bonds3

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutanehydrazide

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutanehydrazide (PubChem CID 63577839) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutanehydrazide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutanehydrazide
PubChem CID63577839
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutanehydrazide
SMILESCc1nc(C)n(C(C(=O)NN)C(C)C)n1
InChIInChI=1S/C9H17N5O/c1-5(2)8(9(15)12-10)14-7(4)11-6(3)13-14/h5,8H,10H2,1-4H3,(H,12,15)
InChIKeyYQCBSFUQFSAIFS-UHFFFAOYSA-N
XLogP0.08
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.08
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'}

Analyze 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutanehydrazide 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 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutanehydrazide?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutanehydrazide (CID 63577839) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutanehydrazide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutanehydrazide?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutanehydrazide is Cc1nc(C)n(C(C(=O)NN)C(C)C)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutanehydrazide?
The InChIKey is YQCBSFUQFSAIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-5(2)8(9(15)12-10)14-7(4)11-6(3)13-14/h5,8H,10H2,1-4H3,(H,12,15).
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutanehydrazide?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutanehydrazide has a molecular weight of 211.27 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutanehydrazide is sourced from PubChem (CID 63577839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).