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

C10H11N7O2 — CID 155521416

IUPAC3,5-diamino-N-(diaminomethylidene)-6-(furan-2-yl)pyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(-c2ccco2)c(N)nc1N
InChIInChI=1S/C10H11N7O2/c11-7-5(4-2-1-3-19-4)15-6(8(12)16-7)9(18)17-10(13)14/h1-3H,(H4,11,12,16)(H4,13,14,17,18)
InChIKeyVZLPMHUQTZXFRD-UHFFFAOYSA-N
MW261.25 g/mol
LogP-0.69
Rot. Bonds2

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

3,5-diamino-N-(diaminomethylidene)-6-(furan-2-yl)pyrazine-2-carboxamide (PubChem CID 155521416) 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-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-(diaminomethylidene)-6-(furan-2-yl)pyrazine-2-carboxamide
PubChem CID155521416
Molecular FormulaC10H11N7O2
Molecular Weight261.25 g/mol
Exact Mass261.10
IUPAC Name3,5-diamino-N-(diaminomethylidene)-6-(furan-2-yl)pyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(-c2ccco2)c(N)nc1N
InChIInChI=1S/C10H11N7O2/c11-7-5(4-2-1-3-19-4)15-6(8(12)16-7)9(18)17-10(13)14/h1-3H,(H4,11,12,16)(H4,13,14,17,18)
InChIKeyVZLPMHUQTZXFRD-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'}

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Related Compounds

3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide
CID 137349240
3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-N-carbamimidoyl-pyrazine-2-carboxamide
CID 139030452
6,7-Di(2-furyl)pteridin-4-ol
CID 135435191
Furterene
CID 71852
3,5-diamino-N-(diaminomethylidene)-6-(furan-3-yl)pyrazine-2-carboxamide
CID 155513178
3,5-diamino-N-(diaminomethylidene)-6-(5-fluoro-1-benzofuran-2-yl)pyrazine-2-carboxamide
CID 155519549
3-amino-6-(furan-2-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 59472094
6,7-Bis(furan-2-yl)-1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
CID 11791780
5-(furan-2-yl)-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 126474943
2-(furan-2-yl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135871334
5-(furan-2-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine
CID 172434409
5-(Furan-2-yl)-3-(4-methylpiperazin-1-yl)pyrazin-2-amine
CID 172435122

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(diaminomethylidene)-6-(furan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-(diaminomethylidene)-6-(furan-2-yl)pyrazine-2-carboxamide (CID 155521416) is 3,5-diamino-N-(diaminomethylidene)-6-(furan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-(diaminomethylidene)-6-(furan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-(diaminomethylidene)-6-(furan-2-yl)pyrazine-2-carboxamide is NC(N)=NC(=O)c1nc(-c2ccco2)c(N)nc1N.
What is the InChIKey of 3,5-diamino-N-(diaminomethylidene)-6-(furan-2-yl)pyrazine-2-carboxamide?
The InChIKey is VZLPMHUQTZXFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O2/c11-7-5(4-2-1-3-19-4)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-2-yl)pyrazine-2-carboxamide?
3,5-diamino-N-(diaminomethylidene)-6-(furan-2-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-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155521416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).