3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide;hydrochloride

C8H13Cl2N7O — CID 11957442

IUPAC3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide;hydrochloride
SMILESCN(C)c1nc(N)c(C(=O)N=C(N)N)nc1Cl.Cl
InChIInChI=1S/C8H12ClN7O.ClH/c1-16(2)6-4(9)13-3(5(10)14-6)7(17)15-8(11)12;/h1-2H3,(H2,10,14)(H4,11,12,15,17);1H
InChIKeyIIUPTHVVXMBJMQ-UHFFFAOYSA-N
MW294.15 g/mol
LogP-0.39
Rot. Bonds2

About 3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide;hydrochloride

3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide;hydrochloride (PubChem CID 11957442) has the molecular formula C8H13Cl2N7O and a molecular weight of 294.15 g/mol. Its IUPAC name is 3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide;hydrochloride
PubChem CID11957442
Molecular FormulaC8H13Cl2N7O
Molecular Weight294.15 g/mol
Exact Mass293.06
IUPAC Name3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide;hydrochloride
SMILESCN(C)c1nc(N)c(C(=O)N=C(N)N)nc1Cl.Cl
InChIInChI=1S/C8H12ClN7O.ClH/c1-16(2)6-4(9)13-3(5(10)14-6)7(17)15-8(11)12;/h1-2H3,(H2,10,14)(H4,11,12,15,17);1H
InChIKeyIIUPTHVVXMBJMQ-UHFFFAOYSA-N
XLogP-0.39
TPSA136.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
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-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide;hydrochloride (CID 11957442) is 3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide;hydrochloride is CN(C)c1nc(N)c(C(=O)N=C(N)N)nc1Cl.Cl.
What is the InChIKey of 3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide;hydrochloride?
The InChIKey is IIUPTHVVXMBJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN7O.ClH/c1-16(2)6-4(9)13-3(5(10)14-6)7(17)15-8(11)12;/h1-2H3,(H2,10,14)(H4,11,12,15,17);1H.
What are the key properties of 3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide;hydrochloride?
3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide;hydrochloride has a molecular weight of 294.15 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 11957442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).