3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide

C14H12N6O — CID 31410270

IUPAC3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H12N6O/c15-13-12(17-5-6-18-13)14(21)19-10-1-3-11(4-2-10)20-8-7-16-9-20/h1-9H,(H2,15,18)(H,19,21)
InChIKeyZACAWTILEWIYPX-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.50
Rot. Bonds3

About 3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide

3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide (PubChem CID 31410270) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide
PubChem CID31410270
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H12N6O/c15-13-12(17-5-6-18-13)14(21)19-10-1-3-11(4-2-10)20-8-7-16-9-20/h1-9H,(H2,15,18)(H,19,21)
InChIKeyZACAWTILEWIYPX-UHFFFAOYSA-N
XLogP1.50
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide (CID 31410270) is 3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is ZACAWTILEWIYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c15-13-12(17-5-6-18-13)14(21)19-10-1-3-11(4-2-10)20-8-7-16-9-20/h1-9H,(H2,15,18)(H,19,21).
What are the key properties of 3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide?
3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 31410270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).