3-methyl-1-pyrazin-2-ylbutan-1-ol

C9H14N2O — CID 60798567

IUPAC3-methyl-1-pyrazin-2-ylbutan-1-ol
SMILESCC(C)CC(O)c1cnccn1
InChIInChI=1S/C9H14N2O/c1-7(2)5-9(12)8-6-10-3-4-11-8/h3-4,6-7,9,12H,5H2,1-2H3
InChIKeyBTCCBRXHJCZYPS-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.56
Rot. Bonds3

About 3-methyl-1-pyrazin-2-ylbutan-1-ol

3-methyl-1-pyrazin-2-ylbutan-1-ol (PubChem CID 60798567) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-methyl-1-pyrazin-2-ylbutan-1-ol.

Molecular Properties

Compound Name3-methyl-1-pyrazin-2-ylbutan-1-ol
PubChem CID60798567
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-methyl-1-pyrazin-2-ylbutan-1-ol
SMILESCC(C)CC(O)c1cnccn1
InChIInChI=1S/C9H14N2O/c1-7(2)5-9(12)8-6-10-3-4-11-8/h3-4,6-7,9,12H,5H2,1-2H3
InChIKeyBTCCBRXHJCZYPS-UHFFFAOYSA-N
XLogP1.56
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyrazin-2-ylbutan-1-ol?
The IUPAC name of 3-methyl-1-pyrazin-2-ylbutan-1-ol (CID 60798567) is 3-methyl-1-pyrazin-2-ylbutan-1-ol.
What is the SMILES notation for 3-methyl-1-pyrazin-2-ylbutan-1-ol?
The canonical SMILES for 3-methyl-1-pyrazin-2-ylbutan-1-ol is CC(C)CC(O)c1cnccn1.
What is the InChIKey of 3-methyl-1-pyrazin-2-ylbutan-1-ol?
The InChIKey is BTCCBRXHJCZYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(2)5-9(12)8-6-10-3-4-11-8/h3-4,6-7,9,12H,5H2,1-2H3.
What are the key properties of 3-methyl-1-pyrazin-2-ylbutan-1-ol?
3-methyl-1-pyrazin-2-ylbutan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyrazin-2-ylbutan-1-ol is sourced from PubChem (CID 60798567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).