(3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol

C10H13FN2O — CID 58326414

IUPAC(3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol
SMILESOC1CCC[C@H](c2nccnc2F)C1
InChIInChI=1S/C10H13FN2O/c11-10-9(12-4-5-13-10)7-2-1-3-8(14)6-7/h4-5,7-8,14H,1-3,6H2/t7-,8?/m0/s1
InChIKeyCEHASAOMFLHOAO-JAMMHHFISA-N
MW196.22 g/mol
LogP1.63
Rot. Bonds1

About (3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol

(3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol (PubChem CID 58326414) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is (3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol
PubChem CID58326414
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name(3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol
SMILESOC1CCC[C@H](c2nccnc2F)C1
InChIInChI=1S/C10H13FN2O/c11-10-9(12-4-5-13-10)7-2-1-3-8(14)6-7/h4-5,7-8,14H,1-3,6H2/t7-,8?/m0/s1
InChIKeyCEHASAOMFLHOAO-JAMMHHFISA-N
XLogP1.63
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 59351195
CID 59351195
CID 59351280
CID 59351280
CID 59351381
CID 59351381
CID 59351403
CID 59351403
CID 59351407
CID 59351407
CID 66986416
CID 66986416
CID 66986535
CID 66986535
CID 140311739
CID 140311739
CID 140311768
CID 140311768
CID 140311784
CID 140311784
CID 140311793
CID 140311793
CID 171557894
CID 171557894

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol?
The IUPAC name of (3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol (CID 58326414) is (3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol.
What is the SMILES notation for (3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol?
The canonical SMILES for (3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol is OC1CCC[C@H](c2nccnc2F)C1.
What is the InChIKey of (3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol?
The InChIKey is CEHASAOMFLHOAO-JAMMHHFISA-N. The full InChI is InChI=1S/C10H13FN2O/c11-10-9(12-4-5-13-10)7-2-1-3-8(14)6-7/h4-5,7-8,14H,1-3,6H2/t7-,8?/m0/s1.
What are the key properties of (3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol?
(3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol has a molecular weight of 196.22 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 58326414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).