2-(3-methylpyrazin-2-yl)pentan-2-ol

C10H16N2O — CID 141462711

IUPAC2-(3-methylpyrazin-2-yl)pentan-2-ol
SMILESCCCC(C)(O)c1nccnc1C
InChIInChI=1S/C10H16N2O/c1-4-5-10(3,13)9-8(2)11-6-7-12-9/h6-7,13H,4-5H2,1-3H3
InChIKeyZTYJVPYCMUSIOG-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.79
Rot. Bonds3

About 2-(3-methylpyrazin-2-yl)pentan-2-ol

2-(3-methylpyrazin-2-yl)pentan-2-ol (PubChem CID 141462711) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(3-methylpyrazin-2-yl)pentan-2-ol.

Molecular Properties

Compound Name2-(3-methylpyrazin-2-yl)pentan-2-ol
PubChem CID141462711
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(3-methylpyrazin-2-yl)pentan-2-ol
SMILESCCCC(C)(O)c1nccnc1C
InChIInChI=1S/C10H16N2O/c1-4-5-10(3,13)9-8(2)11-6-7-12-9/h6-7,13H,4-5H2,1-3H3
InChIKeyZTYJVPYCMUSIOG-UHFFFAOYSA-N
XLogP1.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazin-2-yl)pentan-2-ol?
The IUPAC name of 2-(3-methylpyrazin-2-yl)pentan-2-ol (CID 141462711) is 2-(3-methylpyrazin-2-yl)pentan-2-ol.
What is the SMILES notation for 2-(3-methylpyrazin-2-yl)pentan-2-ol?
The canonical SMILES for 2-(3-methylpyrazin-2-yl)pentan-2-ol is CCCC(C)(O)c1nccnc1C.
What is the InChIKey of 2-(3-methylpyrazin-2-yl)pentan-2-ol?
The InChIKey is ZTYJVPYCMUSIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-5-10(3,13)9-8(2)11-6-7-12-9/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 2-(3-methylpyrazin-2-yl)pentan-2-ol?
2-(3-methylpyrazin-2-yl)pentan-2-ol has a molecular weight of 180.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazin-2-yl)pentan-2-ol is sourced from PubChem (CID 141462711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).