3-chloro-4-(1-cyclohexylpropyl)-5-ethyl-1,2,4-triazole

C13H22ClN3 — CID 63385681

IUPAC3-chloro-4-(1-cyclohexylpropyl)-5-ethyl-1,2,4-triazole
SMILESCCc1nnc(Cl)n1C(CC)C1CCCCC1
InChIInChI=1S/C13H22ClN3/c1-3-11(10-8-6-5-7-9-10)17-12(4-2)15-16-13(17)14/h10-11H,3-9H2,1-2H3
InChIKeyIMAVORMBNUWNRZ-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.03
Rot. Bonds4

About 3-chloro-4-(1-cyclohexylpropyl)-5-ethyl-1,2,4-triazole

3-chloro-4-(1-cyclohexylpropyl)-5-ethyl-1,2,4-triazole (PubChem CID 63385681) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-chloro-4-(1-cyclohexylpropyl)-5-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(1-cyclohexylpropyl)-5-ethyl-1,2,4-triazole
PubChem CID63385681
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name3-chloro-4-(1-cyclohexylpropyl)-5-ethyl-1,2,4-triazole
SMILESCCc1nnc(Cl)n1C(CC)C1CCCCC1
InChIInChI=1S/C13H22ClN3/c1-3-11(10-8-6-5-7-9-10)17-12(4-2)15-16-13(17)14/h10-11H,3-9H2,1-2H3
InChIKeyIMAVORMBNUWNRZ-UHFFFAOYSA-N
XLogP4.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(1-cyclohexylpropyl)-5-phenyl-1,2,4-triazole
CID 63385783
3-chloro-4-(1-cyclohexylethyl)-5-propyl-1,2,4-triazole
CID 63385587
3-chloro-5-ethyl-4-(2-methylpentan-3-yl)-1,2,4-triazole
CID 63385561
3-chloro-5-ethyl-4-(3-ethylpentan-2-yl)-1,2,4-triazole
CID 63841145
4-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-chloro-5-ethyl-1,2,4-triazole
CID 63384054
6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 113404691
4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine
CID 104837082
2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine
CID 79292816
2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole
CID 63547042
4-tert-butyl-3-(1-cyclohexylpropyl)-1H-imidazole-2-thione
CID 81335327
4-(1-cyclohexylpropyl)-3-phenyl-1H-1,2,4-triazole-5-thione
CID 63544917
3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole
CID 63384338

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1-cyclohexylpropyl)-5-ethyl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(1-cyclohexylpropyl)-5-ethyl-1,2,4-triazole (CID 63385681) is 3-chloro-4-(1-cyclohexylpropyl)-5-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(1-cyclohexylpropyl)-5-ethyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(1-cyclohexylpropyl)-5-ethyl-1,2,4-triazole is CCc1nnc(Cl)n1C(CC)C1CCCCC1.
What is the InChIKey of 3-chloro-4-(1-cyclohexylpropyl)-5-ethyl-1,2,4-triazole?
The InChIKey is IMAVORMBNUWNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-3-11(10-8-6-5-7-9-10)17-12(4-2)15-16-13(17)14/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-chloro-4-(1-cyclohexylpropyl)-5-ethyl-1,2,4-triazole?
3-chloro-4-(1-cyclohexylpropyl)-5-ethyl-1,2,4-triazole has a molecular weight of 255.79 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1-cyclohexylpropyl)-5-ethyl-1,2,4-triazole is sourced from PubChem (CID 63385681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).