4-(cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one

C10H17N3O — CID 147441327

IUPAC4-(cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one
SMILESCCCc1nn(C)c(=O)n1CC1CC1
InChIInChI=1S/C10H17N3O/c1-3-4-9-11-12(2)10(14)13(9)7-8-5-6-8/h8H,3-7H2,1-2H3
InChIKeyDWGZHFCEFSHPJT-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.94
Rot. Bonds4

About 4-(cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one

4-(cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one (PubChem CID 147441327) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one
PubChem CID147441327
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one
SMILESCCCc1nn(C)c(=O)n1CC1CC1
InChIInChI=1S/C10H17N3O/c1-3-4-9-11-12(2)10(14)13(9)7-8-5-6-8/h8H,3-7H2,1-2H3
InChIKeyDWGZHFCEFSHPJT-UHFFFAOYSA-N
XLogP0.94
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-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-(cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one (CID 147441327) is 4-(cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one is CCCc1nn(C)c(=O)n1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one?
The InChIKey is DWGZHFCEFSHPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-9-11-12(2)10(14)13(9)7-8-5-6-8/h8H,3-7H2,1-2H3.
What are the key properties of 4-(cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one?
4-(cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one has a molecular weight of 195.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one is sourced from PubChem (CID 147441327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).