3,5-diamino-N-(diaminomethylidene)-6-iodopyrazine-2-carboxamide

C6H8IN7O — CID 3085183

IUPAC3,5-diamino-N-(diaminomethylidene)-6-iodopyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(I)c(N)nc1N
InChIInChI=1S/C6H8IN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
InChIKeyFKXYVYMLZGVJIM-UHFFFAOYSA-N
MW321.08 g/mol
LogP-1.34
Rot. Bonds1

About 3,5-diamino-N-(diaminomethylidene)-6-iodopyrazine-2-carboxamide

3,5-diamino-N-(diaminomethylidene)-6-iodopyrazine-2-carboxamide (PubChem CID 3085183) has the molecular formula C6H8IN7O and a molecular weight of 321.08 g/mol. Its IUPAC name is 3,5-diamino-N-(diaminomethylidene)-6-iodopyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-(diaminomethylidene)-6-iodopyrazine-2-carboxamide
PubChem CID3085183
Molecular FormulaC6H8IN7O
Molecular Weight321.08 g/mol
Exact Mass320.98
IUPAC Name3,5-diamino-N-(diaminomethylidene)-6-iodopyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(I)c(N)nc1N
InChIInChI=1S/C6H8IN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
InChIKeyFKXYVYMLZGVJIM-UHFFFAOYSA-N
XLogP-1.34
TPSA159.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.08
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(diaminomethylidene)-6-iodopyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-(diaminomethylidene)-6-iodopyrazine-2-carboxamide (CID 3085183) is 3,5-diamino-N-(diaminomethylidene)-6-iodopyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-(diaminomethylidene)-6-iodopyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-(diaminomethylidene)-6-iodopyrazine-2-carboxamide is NC(N)=NC(=O)c1nc(I)c(N)nc1N.
What is the InChIKey of 3,5-diamino-N-(diaminomethylidene)-6-iodopyrazine-2-carboxamide?
The InChIKey is FKXYVYMLZGVJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15).
What are the key properties of 3,5-diamino-N-(diaminomethylidene)-6-iodopyrazine-2-carboxamide?
3,5-diamino-N-(diaminomethylidene)-6-iodopyrazine-2-carboxamide has a molecular weight of 321.08 g/mol, XLogP of -1.34, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(diaminomethylidene)-6-iodopyrazine-2-carboxamide is sourced from PubChem (CID 3085183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).