1-(3,5,6-trimethylpyrazin-2-yl)cyclohexan-1-ol

C13H20N2O — CID 175716001

IUPAC1-(3,5,6-trimethylpyrazin-2-yl)cyclohexan-1-ol
SMILESCc1nc(C)c(C2(O)CCCCC2)nc1C
InChIInChI=1S/C13H20N2O/c1-9-10(2)15-12(11(3)14-9)13(16)7-5-4-6-8-13/h16H,4-8H2,1-3H3
InChIKeyNAHRQSPPRCFGHE-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.55
Rot. Bonds1

About 1-(3,5,6-trimethylpyrazin-2-yl)cyclohexan-1-ol

1-(3,5,6-trimethylpyrazin-2-yl)cyclohexan-1-ol (PubChem CID 175716001) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(3,5,6-trimethylpyrazin-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3,5,6-trimethylpyrazin-2-yl)cyclohexan-1-ol
PubChem CID175716001
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(3,5,6-trimethylpyrazin-2-yl)cyclohexan-1-ol
SMILESCc1nc(C)c(C2(O)CCCCC2)nc1C
InChIInChI=1S/C13H20N2O/c1-9-10(2)15-12(11(3)14-9)13(16)7-5-4-6-8-13/h16H,4-8H2,1-3H3
InChIKeyNAHRQSPPRCFGHE-UHFFFAOYSA-N
XLogP2.55
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5,6-trimethylpyrazin-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(3,5,6-trimethylpyrazin-2-yl)cyclohexan-1-ol (CID 175716001) is 1-(3,5,6-trimethylpyrazin-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3,5,6-trimethylpyrazin-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(3,5,6-trimethylpyrazin-2-yl)cyclohexan-1-ol is Cc1nc(C)c(C2(O)CCCCC2)nc1C.
What is the InChIKey of 1-(3,5,6-trimethylpyrazin-2-yl)cyclohexan-1-ol?
The InChIKey is NAHRQSPPRCFGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-10(2)15-12(11(3)14-9)13(16)7-5-4-6-8-13/h16H,4-8H2,1-3H3.
What are the key properties of 1-(3,5,6-trimethylpyrazin-2-yl)cyclohexan-1-ol?
1-(3,5,6-trimethylpyrazin-2-yl)cyclohexan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5,6-trimethylpyrazin-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 175716001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).