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

C15H15N7O3 — CID 155518047

IUPAC3,5-diamino-N-(diaminomethylidene)-6-(5-methoxy-1-benzofuran-2-yl)pyrazine-2-carboxamide
SMILESCOc1ccc2oc(-c3nc(C(=O)N=C(N)N)c(N)nc3N)cc2c1
InChIInChI=1S/C15H15N7O3/c1-24-7-2-3-8-6(4-7)5-9(25-8)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)
InChIKeySFRHTPHXWLHRCV-UHFFFAOYSA-N
MW341.33 g/mol
LogP0.48
Rot. Bonds3

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

3,5-diamino-N-(diaminomethylidene)-6-(5-methoxy-1-benzofuran-2-yl)pyrazine-2-carboxamide (PubChem CID 155518047) has the molecular formula C15H15N7O3 and a molecular weight of 341.33 g/mol. Its IUPAC name is 3,5-diamino-N-(diaminomethylidene)-6-(5-methoxy-1-benzofuran-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-(diaminomethylidene)-6-(5-methoxy-1-benzofuran-2-yl)pyrazine-2-carboxamide
PubChem CID155518047
Molecular FormulaC15H15N7O3
Molecular Weight341.33 g/mol
Exact Mass341.12
IUPAC Name3,5-diamino-N-(diaminomethylidene)-6-(5-methoxy-1-benzofuran-2-yl)pyrazine-2-carboxamide
SMILESCOc1ccc2oc(-c3nc(C(=O)N=C(N)N)c(N)nc3N)cc2c1
InChIInChI=1S/C15H15N7O3/c1-24-7-2-3-8-6(4-7)5-9(25-8)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)
InChIKeySFRHTPHXWLHRCV-UHFFFAOYSA-N
XLogP0.48
TPSA181.66 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide
CID 135393470
3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-N-carbamimidoyl-pyrazine-2-carboxamide
CID 139030452
3-amino-5-(azepan-1-yl)-N-(diaminomethylidene)-6-(4-fluoro-1-benzofuran-2-yl)pyrazine-2-carboxamide
CID 146029523
8-Methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24826442
6-Fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide
CID 70686266
3,5-diamino-N-(diaminomethylidene)-6-(5-fluoro-1-benzofuran-2-yl)pyrazine-2-carboxamide
CID 155519549
3,5-diamino-6-(5-cyano-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
CID 155544256
3,5-diamino-N-(diaminomethylidene)-6-(6-methoxy-1-benzofuran-2-yl)pyrazine-2-carboxamide
CID 155552505
3,5-diamino-6-(1-benzofuran-5-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
CID 155555188
3,5-diamino-6-(5-chloro-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
CID 155556228
3,5-diamino-N-(diaminomethylidene)-6-(5-methyl-1-benzofuran-2-yl)pyrazine-2-carboxamide
CID 155560933
3,5-diamino-6-(5-bromo-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
CID 155562662

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(diaminomethylidene)-6-(5-methoxy-1-benzofuran-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-(diaminomethylidene)-6-(5-methoxy-1-benzofuran-2-yl)pyrazine-2-carboxamide (CID 155518047) is 3,5-diamino-N-(diaminomethylidene)-6-(5-methoxy-1-benzofuran-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-(diaminomethylidene)-6-(5-methoxy-1-benzofuran-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-(diaminomethylidene)-6-(5-methoxy-1-benzofuran-2-yl)pyrazine-2-carboxamide is COc1ccc2oc(-c3nc(C(=O)N=C(N)N)c(N)nc3N)cc2c1.
What is the InChIKey of 3,5-diamino-N-(diaminomethylidene)-6-(5-methoxy-1-benzofuran-2-yl)pyrazine-2-carboxamide?
The InChIKey is SFRHTPHXWLHRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O3/c1-24-7-2-3-8-6(4-7)5-9(25-8)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-methoxy-1-benzofuran-2-yl)pyrazine-2-carboxamide?
3,5-diamino-N-(diaminomethylidene)-6-(5-methoxy-1-benzofuran-2-yl)pyrazine-2-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 0.48, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(diaminomethylidene)-6-(5-methoxy-1-benzofuran-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155518047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).