3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl-[2-(methylamino)ethyl]amino]pyrazine-2-carboxamide;hydrochloride

C10H18Cl2N8O — CID 57401404

IUPAC3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl-[2-(methylamino)ethyl]amino]pyrazine-2-carboxamide;hydrochloride
SMILESCNCCN(C)c1nc(N)c(C(=O)N=C(N)N)nc1Cl.Cl
InChIInChI=1S/C10H17ClN8O.ClH/c1-15-3-4-19(2)8-6(11)16-5(7(12)17-8)9(20)18-10(13)14;/h15H,3-4H2,1-2H3,(H2,12,17)(H4,13,14,18,20);1H
InChIKeyXRFGINHXKHEVDC-UHFFFAOYSA-N
MW337.22 g/mol
LogP-0.80
Rot. Bonds5

About 3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl-[2-(methylamino)ethyl]amino]pyrazine-2-carboxamide;hydrochloride

3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl-[2-(methylamino)ethyl]amino]pyrazine-2-carboxamide;hydrochloride (PubChem CID 57401404) has the molecular formula C10H18Cl2N8O and a molecular weight of 337.22 g/mol. Its IUPAC name is 3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl-[2-(methylamino)ethyl]amino]pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl-[2-(methylamino)ethyl]amino]pyrazine-2-carboxamide;hydrochloride
PubChem CID57401404
Molecular FormulaC10H18Cl2N8O
Molecular Weight337.22 g/mol
Exact Mass336.10
IUPAC Name3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl-[2-(methylamino)ethyl]amino]pyrazine-2-carboxamide;hydrochloride
SMILESCNCCN(C)c1nc(N)c(C(=O)N=C(N)N)nc1Cl.Cl
InChIInChI=1S/C10H17ClN8O.ClH/c1-15-3-4-19(2)8-6(11)16-5(7(12)17-8)9(20)18-10(13)14;/h15H,3-4H2,1-2H3,(H2,12,17)(H4,13,14,18,20);1H
InChIKeyXRFGINHXKHEVDC-UHFFFAOYSA-N
XLogP-0.80
TPSA148.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 5-0.80
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl-[2-(methylamino)ethyl]amino]pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl-[2-(methylamino)ethyl]amino]pyrazine-2-carboxamide;hydrochloride (CID 57401404) is 3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl-[2-(methylamino)ethyl]amino]pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl-[2-(methylamino)ethyl]amino]pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl-[2-(methylamino)ethyl]amino]pyrazine-2-carboxamide;hydrochloride is CNCCN(C)c1nc(N)c(C(=O)N=C(N)N)nc1Cl.Cl.
What is the InChIKey of 3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl-[2-(methylamino)ethyl]amino]pyrazine-2-carboxamide;hydrochloride?
The InChIKey is XRFGINHXKHEVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN8O.ClH/c1-15-3-4-19(2)8-6(11)16-5(7(12)17-8)9(20)18-10(13)14;/h15H,3-4H2,1-2H3,(H2,12,17)(H4,13,14,18,20);1H.
What are the key properties of 3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl-[2-(methylamino)ethyl]amino]pyrazine-2-carboxamide;hydrochloride?
3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl-[2-(methylamino)ethyl]amino]pyrazine-2-carboxamide;hydrochloride has a molecular weight of 337.22 g/mol, XLogP of -0.80, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl-[2-(methylamino)ethyl]amino]pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 57401404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).