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

C14H13N7O2 — CID 155555188

IUPAC3,5-diamino-6-(1-benzofuran-5-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(-c2ccc3occc3c2)c(N)nc1N
InChIInChI=1S/C14H13N7O2/c15-11-9(7-1-2-8-6(5-7)3-4-23-8)19-10(12(16)20-11)13(22)21-14(17)18/h1-5H,(H4,15,16,20)(H4,17,18,21,22)
InChIKeyHNLGHUBITIGMQV-UHFFFAOYSA-N
MW311.31 g/mol
LogP0.47
Rot. Bonds2

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

3,5-diamino-6-(1-benzofuran-5-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide (PubChem CID 155555188) has the molecular formula C14H13N7O2 and a molecular weight of 311.31 g/mol. Its IUPAC name is 3,5-diamino-6-(1-benzofuran-5-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-(1-benzofuran-5-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
PubChem CID155555188
Molecular FormulaC14H13N7O2
Molecular Weight311.31 g/mol
Exact Mass311.11
IUPAC Name3,5-diamino-6-(1-benzofuran-5-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(-c2ccc3occc3c2)c(N)nc1N
InChIInChI=1S/C14H13N7O2/c15-11-9(7-1-2-8-6(5-7)3-4-23-8)19-10(12(16)20-11)13(22)21-14(17)18/h1-5H,(H4,15,16,20)(H4,17,18,21,22)
InChIKeyHNLGHUBITIGMQV-UHFFFAOYSA-N
XLogP0.47
TPSA172.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-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-(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
4-(1-Benzofuran-5-yl)-6-methylpyridin-2-amine
CID 166627502
6-(1-Benzofuran-5-yl)pyrimidine-2,4-diamine
CID 166632285
3,5-diamino-N-(diaminomethylidene)-6-(2,3-dihydro-1-benzofuran-5-yl)pyrazine-2-carboxamide
CID 155554981

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-(1-benzofuran-5-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-(1-benzofuran-5-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide (CID 155555188) is 3,5-diamino-6-(1-benzofuran-5-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-(1-benzofuran-5-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-(1-benzofuran-5-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide is NC(N)=NC(=O)c1nc(-c2ccc3occc3c2)c(N)nc1N.
What is the InChIKey of 3,5-diamino-6-(1-benzofuran-5-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide?
The InChIKey is HNLGHUBITIGMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O2/c15-11-9(7-1-2-8-6(5-7)3-4-23-8)19-10(12(16)20-11)13(22)21-14(17)18/h1-5H,(H4,15,16,20)(H4,17,18,21,22).
What are the key properties of 3,5-diamino-6-(1-benzofuran-5-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide?
3,5-diamino-6-(1-benzofuran-5-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide has a molecular weight of 311.31 g/mol, XLogP of 0.47, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-(1-benzofuran-5-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide is sourced from PubChem (CID 155555188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).