N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride

C6H8ClN5O — CID 57403250

IUPACN-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1cnccn1
InChIInChI=1S/C6H7N5O.ClH/c7-6(8)11-5(12)4-3-9-1-2-10-4;/h1-3H,(H4,7,8,11,12);1H
InChIKeyXBFMUSAOJUCOPC-UHFFFAOYSA-N
MW201.62 g/mol
LogP-0.69
Rot. Bonds1

About N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride

N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride (PubChem CID 57403250) has the molecular formula C6H8ClN5O and a molecular weight of 201.62 g/mol. Its IUPAC name is N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride
PubChem CID57403250
Molecular FormulaC6H8ClN5O
Molecular Weight201.62 g/mol
Exact Mass201.04
IUPAC NameN-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1cnccn1
InChIInChI=1S/C6H7N5O.ClH/c7-6(8)11-5(12)4-3-9-1-2-10-4;/h1-3H,(H4,7,8,11,12);1H
InChIKeyXBFMUSAOJUCOPC-UHFFFAOYSA-N
XLogP-0.69
TPSA107.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.62
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride (CID 57403250) is N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride is Cl.NC(N)=NC(=O)c1cnccn1.
What is the InChIKey of N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride?
The InChIKey is XBFMUSAOJUCOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O.ClH/c7-6(8)11-5(12)4-3-9-1-2-10-4;/h1-3H,(H4,7,8,11,12);1H.
What are the key properties of N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride?
N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride has a molecular weight of 201.62 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 57403250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).