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

C14H12ClN7O2 — CID 155556228

IUPAC3,5-diamino-6-(5-chloro-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(-c2cc3cc(Cl)ccc3o2)c(N)nc1N
InChIInChI=1S/C14H12ClN7O2/c15-6-1-2-7-5(3-6)4-8(24-7)9-11(16)21-12(17)10(20-9)13(23)22-14(18)19/h1-4H,(H4,16,17,21)(H4,18,19,22,23)
InChIKeyXXUHULBINIOYER-UHFFFAOYSA-N
MW345.75 g/mol
LogP1.12
Rot. Bonds2

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

3,5-diamino-6-(5-chloro-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide (PubChem CID 155556228) has the molecular formula C14H12ClN7O2 and a molecular weight of 345.75 g/mol. Its IUPAC name is 3,5-diamino-6-(5-chloro-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-(5-chloro-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
PubChem CID155556228
Molecular FormulaC14H12ClN7O2
Molecular Weight345.75 g/mol
Exact Mass345.07
IUPAC Name3,5-diamino-6-(5-chloro-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(-c2cc3cc(Cl)ccc3o2)c(N)nc1N
InChIInChI=1S/C14H12ClN7O2/c15-6-1-2-7-5(3-6)4-8(24-7)9-11(16)21-12(17)10(20-9)13(23)22-14(18)19/h1-4H,(H4,16,17,21)(H4,18,19,22,23)
InChIKeyXXUHULBINIOYER-UHFFFAOYSA-N
XLogP1.12
TPSA172.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 51.12
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide
CID 135393470
8-Chloro-4-(4-methyl-piperazin-1-yl)-benzo[4,5]furo[3,2-d]pyrimidin-2-ylamine
CID 23653543
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
4-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24738269
4-(3-Aminoazetidin-1-yl)-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24739219
8-Chloro-4-piperazin-1-yl-benzo[4,5]furo[3,2-d]pyrimidin-2-ylamine
CID 24825727
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-(1-benzofuran-5-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
CID 155555188

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-(5-chloro-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-(5-chloro-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide (CID 155556228) is 3,5-diamino-6-(5-chloro-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-(5-chloro-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-(5-chloro-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide is NC(N)=NC(=O)c1nc(-c2cc3cc(Cl)ccc3o2)c(N)nc1N.
What is the InChIKey of 3,5-diamino-6-(5-chloro-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide?
The InChIKey is XXUHULBINIOYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN7O2/c15-6-1-2-7-5(3-6)4-8(24-7)9-11(16)21-12(17)10(20-9)13(23)22-14(18)19/h1-4H,(H4,16,17,21)(H4,18,19,22,23).
What are the key properties of 3,5-diamino-6-(5-chloro-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide?
3,5-diamino-6-(5-chloro-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide has a molecular weight of 345.75 g/mol, XLogP of 1.12, 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-(5-chloro-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide is sourced from PubChem (CID 155556228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).