2-(4-methyl-1H-pyrrol-2-yl)pyrazine

C9H9N3 — CID 160821886

IUPAC2-(4-methyl-1H-pyrrol-2-yl)pyrazine
SMILESCc1c[nH]c(-c2cnccn2)c1
InChIInChI=1S/C9H9N3/c1-7-4-8(12-5-7)9-6-10-2-3-11-9/h2-6,12H,1H3
InChIKeyAKZOYSXCRZDKDQ-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.78
Rot. Bonds1

About 2-(4-methyl-1H-pyrrol-2-yl)pyrazine

2-(4-methyl-1H-pyrrol-2-yl)pyrazine (PubChem CID 160821886) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(4-methyl-1H-pyrrol-2-yl)pyrazine.

Molecular Properties

Compound Name2-(4-methyl-1H-pyrrol-2-yl)pyrazine
PubChem CID160821886
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name2-(4-methyl-1H-pyrrol-2-yl)pyrazine
SMILESCc1c[nH]c(-c2cnccn2)c1
InChIInChI=1S/C9H9N3/c1-7-4-8(12-5-7)9-6-10-2-3-11-9/h2-6,12H,1H3
InChIKeyAKZOYSXCRZDKDQ-UHFFFAOYSA-N
XLogP1.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine
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2-(3-methyl-5-pyridin-4-ylphenyl)pyrazine
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2-(2-fluoro-4-methylphenyl)pyrazine
CID 175164456
2-(4-bromo-3,5-dimethylphenyl)pyrazine
CID 86697321
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2-(2,6-dimethylphenyl)pyrazine
CID 91666747
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1H-pyrrol-2-yl)pyrazine?
The IUPAC name of 2-(4-methyl-1H-pyrrol-2-yl)pyrazine (CID 160821886) is 2-(4-methyl-1H-pyrrol-2-yl)pyrazine.
What is the SMILES notation for 2-(4-methyl-1H-pyrrol-2-yl)pyrazine?
The canonical SMILES for 2-(4-methyl-1H-pyrrol-2-yl)pyrazine is Cc1c[nH]c(-c2cnccn2)c1.
What is the InChIKey of 2-(4-methyl-1H-pyrrol-2-yl)pyrazine?
The InChIKey is AKZOYSXCRZDKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-7-4-8(12-5-7)9-6-10-2-3-11-9/h2-6,12H,1H3.
What are the key properties of 2-(4-methyl-1H-pyrrol-2-yl)pyrazine?
2-(4-methyl-1H-pyrrol-2-yl)pyrazine has a molecular weight of 159.19 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1H-pyrrol-2-yl)pyrazine is sourced from PubChem (CID 160821886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).