3,5-diamino-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride

C6H10ClN7O — CID 57394424

IUPAC3,5-diamino-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ncc(N)nc1N
InChIInChI=1S/C6H9N7O.ClH/c7-2-1-11-3(4(8)12-2)5(14)13-6(9)10;/h1H,(H4,7,8,12)(H4,9,10,13,14);1H
InChIKeyKJSJAVSFVQATDT-UHFFFAOYSA-N
MW231.65 g/mol
LogP-1.52
Rot. Bonds1

About 3,5-diamino-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride

3,5-diamino-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride (PubChem CID 57394424) has the molecular formula C6H10ClN7O and a molecular weight of 231.65 g/mol. Its IUPAC name is 3,5-diamino-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5-diamino-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride
PubChem CID57394424
Molecular FormulaC6H10ClN7O
Molecular Weight231.65 g/mol
Exact Mass231.06
IUPAC Name3,5-diamino-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ncc(N)nc1N
InChIInChI=1S/C6H9N7O.ClH/c7-2-1-11-3(4(8)12-2)5(14)13-6(9)10;/h1H,(H4,7,8,12)(H4,9,10,13,14);1H
InChIKeyKJSJAVSFVQATDT-UHFFFAOYSA-N
XLogP-1.52
TPSA159.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 5-1.52
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'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 3,5-diamino-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride (CID 57394424) is 3,5-diamino-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3,5-diamino-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 3,5-diamino-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride is Cl.NC(N)=NC(=O)c1ncc(N)nc1N.
What is the InChIKey of 3,5-diamino-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride?
The InChIKey is KJSJAVSFVQATDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N7O.ClH/c7-2-1-11-3(4(8)12-2)5(14)13-6(9)10;/h1H,(H4,7,8,12)(H4,9,10,13,14);1H.
What are the key properties of 3,5-diamino-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride?
3,5-diamino-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride has a molecular weight of 231.65 g/mol, XLogP of -1.52, 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)pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 57394424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).