3-chloro-5-methyl-4-propyl-1,2,4-triazole

C6H10ClN3 — CID 63384341

IUPAC3-chloro-5-methyl-4-propyl-1,2,4-triazole
SMILESCCCn1c(C)nnc1Cl
InChIInChI=1S/C6H10ClN3/c1-3-4-10-5(2)8-9-6(10)7/h3-4H2,1-2H3
InChIKeyRJKTVCCUMASQGV-UHFFFAOYSA-N
MW159.62 g/mol
LogP1.65
Rot. Bonds2

About 3-chloro-5-methyl-4-propyl-1,2,4-triazole

3-chloro-5-methyl-4-propyl-1,2,4-triazole (PubChem CID 63384341) has the molecular formula C6H10ClN3 and a molecular weight of 159.62 g/mol. Its IUPAC name is 3-chloro-5-methyl-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-methyl-4-propyl-1,2,4-triazole
PubChem CID63384341
Molecular FormulaC6H10ClN3
Molecular Weight159.62 g/mol
Exact Mass159.06
IUPAC Name3-chloro-5-methyl-4-propyl-1,2,4-triazole
SMILESCCCn1c(C)nnc1Cl
InChIInChI=1S/C6H10ClN3/c1-3-4-10-5(2)8-9-6(10)7/h3-4H2,1-2H3
InChIKeyRJKTVCCUMASQGV-UHFFFAOYSA-N
XLogP1.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-methyl-4-propyl-1,2,4-triazole 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 3-chloro-5-methyl-4-propyl-1,2,4-triazole?
The IUPAC name of 3-chloro-5-methyl-4-propyl-1,2,4-triazole (CID 63384341) is 3-chloro-5-methyl-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-methyl-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-methyl-4-propyl-1,2,4-triazole is CCCn1c(C)nnc1Cl.
What is the InChIKey of 3-chloro-5-methyl-4-propyl-1,2,4-triazole?
The InChIKey is RJKTVCCUMASQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3/c1-3-4-10-5(2)8-9-6(10)7/h3-4H2,1-2H3.
What are the key properties of 3-chloro-5-methyl-4-propyl-1,2,4-triazole?
3-chloro-5-methyl-4-propyl-1,2,4-triazole has a molecular weight of 159.62 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-4-propyl-1,2,4-triazole is sourced from PubChem (CID 63384341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).