5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol

C14H22N2O — CID 63968166

IUPAC5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(c2cnccn2)C1
InChIInChI=1S/C14H22N2O/c1-10(2)12-5-4-11(3)8-14(12,17)13-9-15-6-7-16-13/h6-7,9-12,17H,4-5,8H2,1-3H3
InChIKeyJBSYOZGZTNBJFV-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.76
Rot. Bonds2

About 5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol

5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol (PubChem CID 63968166) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol
PubChem CID63968166
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(c2cnccn2)C1
InChIInChI=1S/C14H22N2O/c1-10(2)12-5-4-11(3)8-14(12,17)13-9-15-6-7-16-13/h6-7,9-12,17H,4-5,8H2,1-3H3
InChIKeyJBSYOZGZTNBJFV-UHFFFAOYSA-N
XLogP2.76
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol?
The IUPAC name of 5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol (CID 63968166) is 5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol.
What is the SMILES notation for 5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol?
The canonical SMILES for 5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol is CC1CCC(C(C)C)C(O)(c2cnccn2)C1.
What is the InChIKey of 5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol?
The InChIKey is JBSYOZGZTNBJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)12-5-4-11(3)8-14(12,17)13-9-15-6-7-16-13/h6-7,9-12,17H,4-5,8H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol?
5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol is sourced from PubChem (CID 63968166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).