(1R)-1-cyclohexyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol

C15H20N4O — CID 92754326

IUPAC(1R)-1-cyclohexyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol
SMILESO[C@](Cn1cncn1)(c1ccccn1)C1CCCCC1
InChIInChI=1S/C15H20N4O/c20-15(10-19-12-16-11-18-19,13-6-2-1-3-7-13)14-8-4-5-9-17-14/h4-5,8-9,11-13,20H,1-3,6-7,10H2/t15-/m0/s1
InChIKeyJNRKEXAAGNCXDR-HNNXBMFYSA-N
MW272.35 g/mol
LogP2.14
Rot. Bonds4

About (1R)-1-cyclohexyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol

(1R)-1-cyclohexyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol (PubChem CID 92754326) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol
PubChem CID92754326
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(1R)-1-cyclohexyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol
SMILESO[C@](Cn1cncn1)(c1ccccn1)C1CCCCC1
InChIInChI=1S/C15H20N4O/c20-15(10-19-12-16-11-18-19,13-6-2-1-3-7-13)14-8-4-5-9-17-14/h4-5,8-9,11-13,20H,1-3,6-7,10H2/t15-/m0/s1
InChIKeyJNRKEXAAGNCXDR-HNNXBMFYSA-N
XLogP2.14
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol?
The IUPAC name of (1R)-1-cyclohexyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol (CID 92754326) is (1R)-1-cyclohexyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for (1R)-1-cyclohexyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for (1R)-1-cyclohexyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol is O[C@](Cn1cncn1)(c1ccccn1)C1CCCCC1.
What is the InChIKey of (1R)-1-cyclohexyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol?
The InChIKey is JNRKEXAAGNCXDR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N4O/c20-15(10-19-12-16-11-18-19,13-6-2-1-3-7-13)14-8-4-5-9-17-14/h4-5,8-9,11-13,20H,1-3,6-7,10H2/t15-/m0/s1.
What are the key properties of (1R)-1-cyclohexyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol?
(1R)-1-cyclohexyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol has a molecular weight of 272.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 92754326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).