4-methyl-1-[(2-pyrazin-2-ylimidazol-1-yl)methyl]cyclohexan-1-ol

C15H20N4O — CID 109411466

IUPAC4-methyl-1-[(2-pyrazin-2-ylimidazol-1-yl)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(Cn2ccnc2-c2cnccn2)CC1
InChIInChI=1S/C15H20N4O/c1-12-2-4-15(20,5-3-12)11-19-9-8-18-14(19)13-10-16-6-7-17-13/h6-10,12,20H,2-5,11H2,1H3
InChIKeyPYACDBIIQAPZSL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.28
Rot. Bonds3

About 4-methyl-1-[(2-pyrazin-2-ylimidazol-1-yl)methyl]cyclohexan-1-ol

4-methyl-1-[(2-pyrazin-2-ylimidazol-1-yl)methyl]cyclohexan-1-ol (PubChem CID 109411466) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-methyl-1-[(2-pyrazin-2-ylimidazol-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(2-pyrazin-2-ylimidazol-1-yl)methyl]cyclohexan-1-ol
PubChem CID109411466
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-methyl-1-[(2-pyrazin-2-ylimidazol-1-yl)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(Cn2ccnc2-c2cnccn2)CC1
InChIInChI=1S/C15H20N4O/c1-12-2-4-15(20,5-3-12)11-19-9-8-18-14(19)13-10-16-6-7-17-13/h6-10,12,20H,2-5,11H2,1H3
InChIKeyPYACDBIIQAPZSL-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-pyrazin-2-ylimidazol-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[(2-pyrazin-2-ylimidazol-1-yl)methyl]cyclohexan-1-ol (CID 109411466) is 4-methyl-1-[(2-pyrazin-2-ylimidazol-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[(2-pyrazin-2-ylimidazol-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[(2-pyrazin-2-ylimidazol-1-yl)methyl]cyclohexan-1-ol is CC1CCC(O)(Cn2ccnc2-c2cnccn2)CC1.
What is the InChIKey of 4-methyl-1-[(2-pyrazin-2-ylimidazol-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is PYACDBIIQAPZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12-2-4-15(20,5-3-12)11-19-9-8-18-14(19)13-10-16-6-7-17-13/h6-10,12,20H,2-5,11H2,1H3.
What are the key properties of 4-methyl-1-[(2-pyrazin-2-ylimidazol-1-yl)methyl]cyclohexan-1-ol?
4-methyl-1-[(2-pyrazin-2-ylimidazol-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-pyrazin-2-ylimidazol-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 109411466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).