4-methyl-1-pyrazin-2-ylpentan-2-ol

C10H16N2O — CID 565113

IUPAC4-methyl-1-pyrazin-2-ylpentan-2-ol
SMILESCC(C)CC(O)Cc1cnccn1
InChIInChI=1S/C10H16N2O/c1-8(2)5-10(13)6-9-7-11-3-4-12-9/h3-4,7-8,10,13H,5-6H2,1-2H3
InChIKeyMWXZIMZIPADTOC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.43
Rot. Bonds4

About 4-methyl-1-pyrazin-2-ylpentan-2-ol

4-methyl-1-pyrazin-2-ylpentan-2-ol (PubChem CID 565113) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methyl-1-pyrazin-2-ylpentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-pyrazin-2-ylpentan-2-ol
PubChem CID565113
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-methyl-1-pyrazin-2-ylpentan-2-ol
SMILESCC(C)CC(O)Cc1cnccn1
InChIInChI=1S/C10H16N2O/c1-8(2)5-10(13)6-9-7-11-3-4-12-9/h3-4,7-8,10,13H,5-6H2,1-2H3
InChIKeyMWXZIMZIPADTOC-UHFFFAOYSA-N
XLogP1.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-pyrazin-2-ylpentan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyrazin-2-ylpentan-2-ol?
The IUPAC name of 4-methyl-1-pyrazin-2-ylpentan-2-ol (CID 565113) is 4-methyl-1-pyrazin-2-ylpentan-2-ol.
What is the SMILES notation for 4-methyl-1-pyrazin-2-ylpentan-2-ol?
The canonical SMILES for 4-methyl-1-pyrazin-2-ylpentan-2-ol is CC(C)CC(O)Cc1cnccn1.
What is the InChIKey of 4-methyl-1-pyrazin-2-ylpentan-2-ol?
The InChIKey is MWXZIMZIPADTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(2)5-10(13)6-9-7-11-3-4-12-9/h3-4,7-8,10,13H,5-6H2,1-2H3.
What are the key properties of 4-methyl-1-pyrazin-2-ylpentan-2-ol?
4-methyl-1-pyrazin-2-ylpentan-2-ol has a molecular weight of 180.25 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyrazin-2-ylpentan-2-ol is sourced from PubChem (CID 565113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).