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

C15H12N8O2 — CID 155544256

IUPAC3,5-diamino-6-(5-cyano-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
SMILESN#Cc1ccc2oc(-c3nc(C(=O)N=C(N)N)c(N)nc3N)cc2c1
InChIInChI=1S/C15H12N8O2/c16-5-6-1-2-8-7(3-6)4-9(25-8)10-12(17)22-13(18)11(21-10)14(24)23-15(19)20/h1-4H,(H4,17,18,22)(H4,19,20,23,24)
InChIKeyRIWMXTKYCSSHPO-UHFFFAOYSA-N
MW336.32 g/mol
LogP0.34
Rot. Bonds2

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

3,5-diamino-6-(5-cyano-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide (PubChem CID 155544256) has the molecular formula C15H12N8O2 and a molecular weight of 336.32 g/mol. Its IUPAC name is 3,5-diamino-6-(5-cyano-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-(5-cyano-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
PubChem CID155544256
Molecular FormulaC15H12N8O2
Molecular Weight336.32 g/mol
Exact Mass336.11
IUPAC Name3,5-diamino-6-(5-cyano-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
SMILESN#Cc1ccc2oc(-c3nc(C(=O)N=C(N)N)c(N)nc3N)cc2c1
InChIInChI=1S/C15H12N8O2/c16-5-6-1-2-8-7(3-6)4-9(25-8)10-12(17)22-13(18)11(21-10)14(24)23-15(19)20/h1-4H,(H4,17,18,22)(H4,19,20,23,24)
InChIKeyRIWMXTKYCSSHPO-UHFFFAOYSA-N
XLogP0.34
TPSA196.22 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 50.34
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
3,5-diamino-N-(diaminomethylidene)-6-(5-methoxy-1-benzofuran-2-yl)pyrazine-2-carboxamide
CID 155518047
3,5-diamino-N-(diaminomethylidene)-6-(5-fluoro-1-benzofuran-2-yl)pyrazine-2-carboxamide
CID 155519549
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-N-(diaminomethylidene)-6-(2,3-dihydro-1-benzofuran-5-yl)pyrazine-2-carboxamide
CID 155554981
3,5-diamino-6-(5-bromo-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
CID 155562662
3-amino-6-(2,6-dimethylpyridin-4-yl)-N-(2-methoxybenzyl)-5-(5-methylfuran-2-yl)pyrazine-2-carboxamide
CID 149783275

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-(5-cyano-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-(5-cyano-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide (CID 155544256) is 3,5-diamino-6-(5-cyano-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-(5-cyano-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-(5-cyano-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide is N#Cc1ccc2oc(-c3nc(C(=O)N=C(N)N)c(N)nc3N)cc2c1.
What is the InChIKey of 3,5-diamino-6-(5-cyano-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide?
The InChIKey is RIWMXTKYCSSHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N8O2/c16-5-6-1-2-8-7(3-6)4-9(25-8)10-12(17)22-13(18)11(21-10)14(24)23-15(19)20/h1-4H,(H4,17,18,22)(H4,19,20,23,24).
What are the key properties of 3,5-diamino-6-(5-cyano-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide?
3,5-diamino-6-(5-cyano-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide has a molecular weight of 336.32 g/mol, XLogP of 0.34, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-(5-cyano-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide is sourced from PubChem (CID 155544256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).