4-cyclopropyl-3-(2-methylpropyl)-1H-1,2,4-triazol-5-one

C9H15N3O — CID 126953825

IUPAC4-cyclopropyl-3-(2-methylpropyl)-1H-1,2,4-triazol-5-one
SMILESCC(C)Cc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C9H15N3O/c1-6(2)5-8-10-11-9(13)12(8)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,11,13)
InChIKeyDWBHOGVUTAFGOI-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.10
Rot. Bonds3

About 4-cyclopropyl-3-(2-methylpropyl)-1H-1,2,4-triazol-5-one

4-cyclopropyl-3-(2-methylpropyl)-1H-1,2,4-triazol-5-one (PubChem CID 126953825) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-cyclopropyl-3-(2-methylpropyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopropyl-3-(2-methylpropyl)-1H-1,2,4-triazol-5-one
PubChem CID126953825
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-cyclopropyl-3-(2-methylpropyl)-1H-1,2,4-triazol-5-one
SMILESCC(C)Cc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C9H15N3O/c1-6(2)5-8-10-11-9(13)12(8)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,11,13)
InChIKeyDWBHOGVUTAFGOI-UHFFFAOYSA-N
XLogP1.10
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclopropyl-3-(2-methylpropyl)-1H-1,2,4-triazol-5-one 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 4-cyclopropyl-3-(2-methylpropyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopropyl-3-(2-methylpropyl)-1H-1,2,4-triazol-5-one (CID 126953825) is 4-cyclopropyl-3-(2-methylpropyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopropyl-3-(2-methylpropyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopropyl-3-(2-methylpropyl)-1H-1,2,4-triazol-5-one is CC(C)Cc1n[nH]c(=O)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-(2-methylpropyl)-1H-1,2,4-triazol-5-one?
The InChIKey is DWBHOGVUTAFGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)5-8-10-11-9(13)12(8)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,11,13).
What are the key properties of 4-cyclopropyl-3-(2-methylpropyl)-1H-1,2,4-triazol-5-one?
4-cyclopropyl-3-(2-methylpropyl)-1H-1,2,4-triazol-5-one has a molecular weight of 181.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(2-methylpropyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 126953825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).