3,5-diamino-N-(diaminomethylidene)-6-(5-methyl-1-benzofuran-2-yl)pyrazine-2-carboxamide

C15H15N7O2 — CID 155560933

About 3,5-diamino-N-(diaminomethylidene)-6-(5-methyl-1-benzofuran-2-yl)pyrazine-2-carboxamide

3,5-diamino-N-(diaminomethylidene)-6-(5-methyl-1-benzofuran-2-yl)pyrazine-2-carboxamide (PubChem CID 155560933) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 3,5-diamino-N-(diaminomethylidene)-6-(5-methyl-1-benzofuran-2-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3,5-diamino-N-(diaminomethylidene)-6-(5-methyl-1-benzofuran-2-yl)pyrazine-2-carboxamide
• PubChem CID: 155560933
• Molecular Formula: C15H15N7O2
• Molecular Weight: 325.33 g/mol
• Exact Mass: 325.13
• IUPAC Name: 3,5-diamino-N-(diaminomethylidene)-6-(5-methyl-1-benzofuran-2-yl)pyrazine-2-carboxamide
• SMILES: Cc1ccc2oc(-c3nc(C(=O)N=C(N)N)c(N)nc3N)cc2c1
• InChI: InChI=1S/C15H15N7O2/c1-6-2-3-8-7(4-6)5-9(24-8)10-12(16)21-13(17)11(20-10)14(23)22-15(18)19/h2-5H,1H3,(H4,16,17,21)(H4,18,19,22,23)
• InChIKey: YYLYKJYHHLLBEG-UHFFFAOYSA-N
• XLogP: 0.78
• TPSA: 172.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.33
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(diaminomethylidene)-6-(5-methyl-1-benzofuran-2-yl)pyrazine-2-carboxamide?

The IUPAC name of 3,5-diamino-N-(diaminomethylidene)-6-(5-methyl-1-benzofuran-2-yl)pyrazine-2-carboxamide (CID 155560933) is 3,5-diamino-N-(diaminomethylidene)-6-(5-methyl-1-benzofuran-2-yl)pyrazine-2-carboxamide.

What is the SMILES notation for 3,5-diamino-N-(diaminomethylidene)-6-(5-methyl-1-benzofuran-2-yl)pyrazine-2-carboxamide?

The canonical SMILES for 3,5-diamino-N-(diaminomethylidene)-6-(5-methyl-1-benzofuran-2-yl)pyrazine-2-carboxamide is Cc1ccc2oc(-c3nc(C(=O)N=C(N)N)c(N)nc3N)cc2c1.

What is the InChIKey of 3,5-diamino-N-(diaminomethylidene)-6-(5-methyl-1-benzofuran-2-yl)pyrazine-2-carboxamide?

The InChIKey is YYLYKJYHHLLBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c1-6-2-3-8-7(4-6)5-9(24-8)10-12(16)21-13(17)11(20-10)14(23)22-15(18)19/h2-5H,1H3,(H4,16,17,21)(H4,18,19,22,23).

What are the key properties of 3,5-diamino-N-(diaminomethylidene)-6-(5-methyl-1-benzofuran-2-yl)pyrazine-2-carboxamide?

3,5-diamino-N-(diaminomethylidene)-6-(5-methyl-1-benzofuran-2-yl)pyrazine-2-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 0.78, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-diamino-N-(diaminomethylidene)-6-(5-methyl-1-benzofuran-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155560933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).