2-(2-methylbutyl)pyrazine

C9H14N2 — CID 528049

IUPAC2-(2-methylbutyl)pyrazine
SMILESCCC(C)Cc1cnccn1
InChIInChI=1S/C9H14N2/c1-3-8(2)6-9-7-10-4-5-11-9/h4-5,7-8H,3,6H2,1-2H3
InChIKeyWONHREJRLMEWSC-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.07
Rot. Bonds3

About 2-(2-methylbutyl)pyrazine

2-(2-methylbutyl)pyrazine (PubChem CID 528049) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(2-methylbutyl)pyrazine.

Molecular Properties

Compound Name2-(2-methylbutyl)pyrazine
PubChem CID528049
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-(2-methylbutyl)pyrazine
SMILESCCC(C)Cc1cnccn1
InChIInChI=1S/C9H14N2/c1-3-8(2)6-9-7-10-4-5-11-9/h4-5,7-8H,3,6H2,1-2H3
InChIKeyWONHREJRLMEWSC-UHFFFAOYSA-N
XLogP2.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-6,7-dihydro-5H-cyclopentylpyrazine
CID 32065
2-Ethylpyrazine
CID 26331
2-Isobutyl-3-methyl pyrazine
CID 26333
5-Ethyl-2,3-dimethylpyrazine
CID 27460
2-Methyl-3-propylpyrazine
CID 85224
2-Isopropyl-5-methylpyrazine
CID 61700
Propylpyrazine
CID 87466
2,5-Dimethyl-6,7-dihydro-5H-cyclopentapyrazine
CID 530404
Pyrazine, 2,5-diethyl-
CID 25797
Isopropylpyrazine
CID 34590
2-Butyl-3-methylpyrazine
CID 85228
(Cyclohexylmethyl)pyrazine
CID 16204532

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutyl)pyrazine?
The IUPAC name of 2-(2-methylbutyl)pyrazine (CID 528049) is 2-(2-methylbutyl)pyrazine.
What is the SMILES notation for 2-(2-methylbutyl)pyrazine?
The canonical SMILES for 2-(2-methylbutyl)pyrazine is CCC(C)Cc1cnccn1.
What is the InChIKey of 2-(2-methylbutyl)pyrazine?
The InChIKey is WONHREJRLMEWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-8(2)6-9-7-10-4-5-11-9/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 2-(2-methylbutyl)pyrazine?
2-(2-methylbutyl)pyrazine has a molecular weight of 150.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutyl)pyrazine is sourced from PubChem (CID 528049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).