(1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine

C13H24N4 — CID 107146725

IUPAC(1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCCCC[C@H](N)c1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C13H24N4/c1-2-3-9-11(14)13-15-12(16-17-13)10-7-5-4-6-8-10/h10-11H,2-9,14H2,1H3,(H,15,16,17)/t11-/m0/s1
InChIKeyOOVQYCMUPNGUMN-NSHDSACASA-N
MW236.36 g/mol
LogP3.04
Rot. Bonds5

About (1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine

(1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine (PubChem CID 107146725) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is (1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine
PubChem CID107146725
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name(1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCCCC[C@H](N)c1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C13H24N4/c1-2-3-9-11(14)13-15-12(16-17-13)10-7-5-4-6-8-10/h10-11H,2-9,14H2,1H3,(H,15,16,17)/t11-/m0/s1
InChIKeyOOVQYCMUPNGUMN-NSHDSACASA-N
XLogP3.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pentan-1-amine
CID 107146724
(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
CID 104910656
5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole
CID 82987037
(1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine
CID 163409809
1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
CID 61338739
cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine
CID 61337578
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
CID 61337962
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine
CID 62674842
5-cyclohexyl-3-(2,4-dimethylpentan-3-yl)-1H-1,2,4-triazole
CID 114282263
(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol
CID 66263854
5-cyclopentyl-3-(1-phenylpropyl)-1H-1,2,4-triazole
CID 61337737
5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole
CID 61337311

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine?
The IUPAC name of (1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine (CID 107146725) is (1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine.
What is the SMILES notation for (1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine?
The canonical SMILES for (1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine is CCCC[C@H](N)c1n[nH]c(C2CCCCC2)n1.
What is the InChIKey of (1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine?
The InChIKey is OOVQYCMUPNGUMN-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N4/c1-2-3-9-11(14)13-15-12(16-17-13)10-7-5-4-6-8-10/h10-11H,2-9,14H2,1H3,(H,15,16,17)/t11-/m0/s1.
What are the key properties of (1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine?
(1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine is sourced from PubChem (CID 107146725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).