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

C8H12ClN3 — CID 63384392

IUPAC3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole
SMILESCCCn1c(Cl)nnc1C1CC1
InChIInChI=1S/C8H12ClN3/c1-2-5-12-7(6-3-4-6)10-11-8(12)9/h6H,2-5H2,1H3
InChIKeyHFYURYVSVMCLCS-UHFFFAOYSA-N
MW185.66 g/mol
LogP2.22
Rot. Bonds3

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

3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole (PubChem CID 63384392) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole
PubChem CID63384392
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole
SMILESCCCn1c(Cl)nnc1C1CC1
InChIInChI=1S/C8H12ClN3/c1-2-5-12-7(6-3-4-6)10-11-8(12)9/h6H,2-5H2,1H3
InChIKeyHFYURYVSVMCLCS-UHFFFAOYSA-N
XLogP2.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-cyclopropyl-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

Related Compounds

3-(chloromethyl)-5-cyclopropyl-4-propyl-1,2,4-triazole
CID 115398261
3-chloro-5-cyclopropyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 63385163
3-cyclopropyl-4,5-dipropyl-1,2,4-triazole
CID 144754875
3-chloro-5-cyclopropyl-4-(2-phenylethyl)-1,2,4-triazole
CID 55184754
5-[2-(3-chloro-5-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole
CID 106421234
3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole
CID 63385046
3-chloro-5-methyl-4-propyl-1,2,4-triazole
CID 63384341
3-chloro-5-cyclopropyl-4-octan-4-yl-1,2,4-triazole
CID 106027536
3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole
CID 63384338
3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole
CID 63385744
3-cyclopropyl-4-propyl-1H-1,2,4-triazol-5-one
CID 178200614
3-chloro-4,5-dicyclopropyl-1,2,4-triazole
CID 63384839

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole?
The IUPAC name of 3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole (CID 63384392) is 3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole is CCCn1c(Cl)nnc1C1CC1.
What is the InChIKey of 3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole?
The InChIKey is HFYURYVSVMCLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-2-5-12-7(6-3-4-6)10-11-8(12)9/h6H,2-5H2,1H3.
What are the key properties of 3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole?
3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole has a molecular weight of 185.66 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole is sourced from PubChem (CID 63384392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).