3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide

C14H12N6O — CID 62685335

IUPAC3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1-n1ccnc1-c1cccc(N)c1
InChIInChI=1S/C14H12N6O/c15-10-3-1-2-9(8-10)13-19-6-7-20(13)14-11(12(16)21)17-4-5-18-14/h1-8H,15H2,(H2,16,21)
InChIKeyGTYYTPKUIVSZNN-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.01
Rot. Bonds3

About 3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide

3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide (PubChem CID 62685335) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide
PubChem CID62685335
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1-n1ccnc1-c1cccc(N)c1
InChIInChI=1S/C14H12N6O/c15-10-3-1-2-9(8-10)13-19-6-7-20(13)14-11(12(16)21)17-4-5-18-14/h1-8H,15H2,(H2,16,21)
InChIKeyGTYYTPKUIVSZNN-UHFFFAOYSA-N
XLogP1.01
TPSA112.71 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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide (CID 62685335) is 3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide is NC(=O)c1nccnc1-n1ccnc1-c1cccc(N)c1.
What is the InChIKey of 3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide?
The InChIKey is GTYYTPKUIVSZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c15-10-3-1-2-9(8-10)13-19-6-7-20(13)14-11(12(16)21)17-4-5-18-14/h1-8H,15H2,(H2,16,21).
What are the key properties of 3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide?
3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 62685335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).