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

C10H11N7O2 — CID 155513178

IUPAC3,5-diamino-N-(diaminomethylidene)-6-(furan-3-yl)pyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(-c2ccoc2)c(N)nc1N
InChIInChI=1S/C10H11N7O2/c11-7-5(4-1-2-19-3-4)15-6(8(12)16-7)9(18)17-10(13)14/h1-3H,(H4,11,12,16)(H4,13,14,17,18)
InChIKeyZLMSEQZZPAHJRH-UHFFFAOYSA-N
MW261.25 g/mol
LogP-0.69
Rot. Bonds2

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

3,5-diamino-N-(diaminomethylidene)-6-(furan-3-yl)pyrazine-2-carboxamide (PubChem CID 155513178) has the molecular formula C10H11N7O2 and a molecular weight of 261.25 g/mol. Its IUPAC name is 3,5-diamino-N-(diaminomethylidene)-6-(furan-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-(diaminomethylidene)-6-(furan-3-yl)pyrazine-2-carboxamide
PubChem CID155513178
Molecular FormulaC10H11N7O2
Molecular Weight261.25 g/mol
Exact Mass261.10
IUPAC Name3,5-diamino-N-(diaminomethylidene)-6-(furan-3-yl)pyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(-c2ccoc2)c(N)nc1N
InChIInChI=1S/C10H11N7O2/c11-7-5(4-1-2-19-3-4)15-6(8(12)16-7)9(18)17-10(13)14/h1-3H,(H4,11,12,16)(H4,13,14,17,18)
InChIKeyZLMSEQZZPAHJRH-UHFFFAOYSA-N
XLogP-0.69
TPSA172.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 5-0.69
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-N-(diaminomethylidene)-6-(furan-3-yl)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

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(diaminomethylidene)-6-(furan-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-(diaminomethylidene)-6-(furan-3-yl)pyrazine-2-carboxamide (CID 155513178) is 3,5-diamino-N-(diaminomethylidene)-6-(furan-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-(diaminomethylidene)-6-(furan-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-(diaminomethylidene)-6-(furan-3-yl)pyrazine-2-carboxamide is NC(N)=NC(=O)c1nc(-c2ccoc2)c(N)nc1N.
What is the InChIKey of 3,5-diamino-N-(diaminomethylidene)-6-(furan-3-yl)pyrazine-2-carboxamide?
The InChIKey is ZLMSEQZZPAHJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O2/c11-7-5(4-1-2-19-3-4)15-6(8(12)16-7)9(18)17-10(13)14/h1-3H,(H4,11,12,16)(H4,13,14,17,18).
What are the key properties of 3,5-diamino-N-(diaminomethylidene)-6-(furan-3-yl)pyrazine-2-carboxamide?
3,5-diamino-N-(diaminomethylidene)-6-(furan-3-yl)pyrazine-2-carboxamide has a molecular weight of 261.25 g/mol, XLogP of -0.69, 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-(furan-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155513178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).