3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole

C13H23N3 — CID 115395107

IUPAC3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1CCC1CCCCC1
InChIInChI=1S/C13H23N3/c1-2-10-16-11-14-15-13(16)9-8-12-6-4-3-5-7-12/h11-12H,2-10H2,1H3
InChIKeyDYWSBGRVBRQCLK-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.20
Rot. Bonds5

About 3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole

3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole (PubChem CID 115395107) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole
PubChem CID115395107
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1CCC1CCCCC1
InChIInChI=1S/C13H23N3/c1-2-10-16-11-14-15-13(16)9-8-12-6-4-3-5-7-12/h11-12H,2-10H2,1H3
InChIKeyDYWSBGRVBRQCLK-UHFFFAOYSA-N
XLogP3.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cycloheptylmethyl)-4-ethyl-1,2,4-triazole
CID 114459441
2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 62694477
3-chloro-4-(2-cyclohexylethyl)-1,2,4-triazole
CID 63385285
3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole
CID 115393404
[5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593700
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane
CID 176697634
1-(2-cyclohexylethyl)-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111700326
N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62692198
N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62694659
3-(bromomethyl)-5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazole
CID 115399467
1-cyclopropyl-1-(4-propyl-1,2,4-triazol-3-yl)ethanamine
CID 64667693
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine
CID 115656753

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole?
The IUPAC name of 3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole (CID 115395107) is 3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole is CCCn1cnnc1CCC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole?
The InChIKey is DYWSBGRVBRQCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-10-16-11-14-15-13(16)9-8-12-6-4-3-5-7-12/h11-12H,2-10H2,1H3.
What are the key properties of 3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole?
3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole has a molecular weight of 221.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole is sourced from PubChem (CID 115395107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).