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

C12H22N4 — CID 107146724

IUPAC(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCCCC[C@H](N)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C12H22N4/c1-2-3-8-10(13)12-14-11(15-16-12)9-6-4-5-7-9/h9-10H,2-8,13H2,1H3,(H,14,15,16)/t10-/m0/s1
InChIKeyFWUOOJPOUAGMOK-JTQLQIEISA-N
MW222.34 g/mol
LogP2.65
Rot. Bonds5

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

(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pentan-1-amine (PubChem CID 107146724) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pentan-1-amine
PubChem CID107146724
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCCCC[C@H](N)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C12H22N4/c1-2-3-8-10(13)12-14-11(15-16-12)9-6-4-5-7-9/h9-10H,2-8,13H2,1H3,(H,14,15,16)/t10-/m0/s1
InChIKeyFWUOOJPOUAGMOK-JTQLQIEISA-N
XLogP2.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine
CID 107146725
(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
1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
CID 61338739
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
CID 61337962
(1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine
CID 163409809
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine
CID 62674842
cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine
CID 61337578
(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol
CID 66263854
5-cyclohexyl-3-(2,4-dimethylpentan-3-yl)-1H-1,2,4-triazole
CID 114282263
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-cyclopentyl-1H-1,2,4-triazol-3-yl)pentan-1-amine?
The IUPAC name of (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pentan-1-amine (CID 107146724) is (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pentan-1-amine.
What is the SMILES notation for (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pentan-1-amine?
The canonical SMILES for (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pentan-1-amine is CCCC[C@H](N)c1n[nH]c(C2CCCC2)n1.
What is the InChIKey of (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pentan-1-amine?
The InChIKey is FWUOOJPOUAGMOK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N4/c1-2-3-8-10(13)12-14-11(15-16-12)9-6-4-5-7-9/h9-10H,2-8,13H2,1H3,(H,14,15,16)/t10-/m0/s1.
What are the key properties of (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pentan-1-amine?
(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pentan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pentan-1-amine is sourced from PubChem (CID 107146724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).