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

C9H15N3O — CID 66263854

IUPAC(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol
SMILESC[C@H](O)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C9H15N3O/c1-6(13)8-10-9(12-11-8)7-4-2-3-5-7/h6-7,13H,2-5H2,1H3,(H,10,11,12)/t6-/m0/s1
InChIKeyATECLOLOGXQKLT-LURJTMIESA-N
MW181.24 g/mol
LogP1.52
Rot. Bonds2

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

(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol (PubChem CID 66263854) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol
PubChem CID66263854
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol
SMILESC[C@H](O)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C9H15N3O/c1-6(13)8-10-9(12-11-8)7-4-2-3-5-7/h6-7,13H,2-5H2,1H3,(H,10,11,12)/t6-/m0/s1
InChIKeyATECLOLOGXQKLT-LURJTMIESA-N
XLogP1.52
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclohexyl-3-(2,4-dimethylpentan-3-yl)-1H-1,2,4-triazole
CID 114282263
(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
5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole
CID 61337311
1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
CID 61338739
5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole
CID 82987037
(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
CID 104910656
3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride
CID 170918642
cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine
CID 61337578
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylethanamine
CID 62637249
(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pentan-1-amine
CID 107146724
(1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine
CID 107146725

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol (CID 66263854) is (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol is C[C@H](O)c1n[nH]c(C2CCCC2)n1.
What is the InChIKey of (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol?
The InChIKey is ATECLOLOGXQKLT-LURJTMIESA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(13)8-10-9(12-11-8)7-4-2-3-5-7/h6-7,13H,2-5H2,1H3,(H,10,11,12)/t6-/m0/s1.
What are the key properties of (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol?
(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol has a molecular weight of 181.24 g/mol, XLogP of 1.52, 2 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)ethanol is sourced from PubChem (CID 66263854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).