3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide

C10H14ClN7O2 — CID 88911387

IUPAC3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide
SMILESCCC(=O)N/C(N)=N/C(=O)c1nc(Cl)c(NC)nc1N
InChIInChI=1S/C10H14ClN7O2/c1-3-4(19)15-10(13)18-9(20)5-7(12)17-8(14-2)6(11)16-5/h3H2,1-2H3,(H3,12,14,17)(H3,13,15,18,19,20)
InChIKeyYVYWDWDFEOLKEZ-UHFFFAOYSA-N
MW299.72 g/mol
LogP-0.26
Rot. Bonds3

About 3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide

3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide (PubChem CID 88911387) has the molecular formula C10H14ClN7O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide
PubChem CID88911387
Molecular FormulaC10H14ClN7O2
Molecular Weight299.72 g/mol
Exact Mass299.09
IUPAC Name3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide
SMILESCCC(=O)N/C(N)=N/C(=O)c1nc(Cl)c(NC)nc1N
InChIInChI=1S/C10H14ClN7O2/c1-3-4(19)15-10(13)18-9(20)5-7(12)17-8(14-2)6(11)16-5/h3H2,1-2H3,(H3,12,14,17)(H3,13,15,18,19,20)
InChIKeyYVYWDWDFEOLKEZ-UHFFFAOYSA-N
XLogP-0.26
TPSA148.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 5-0.26
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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Related Compounds

CID 58385786
CID 58385786
CID 58385780
CID 58385780
N-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide
CID 58089184
ethyl N-[[[3-amino-6-chloro-5-(methylamino)pyrazine-2-carbonyl]amino]-(ethoxycarbonylamino)methylidene]carbamate
CID 54258938
3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(methylamino)pyrazine-2-carboxamide
CID 173443724
3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide
CID 130008687
3-[[6-amino-3-chloro-5-(diaminomethylidenecarbamoyl)pyrazin-2-yl]amino]propanoic acid;hydrochloride
CID 57396266
3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane
CID 153371782
3-amino-6-chloro-N-(diaminomethylidene)-5-(2H-tetrazol-5-ylmethylamino)pyrazine-2-carboxamide
CID 57401403
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;methanesulfonic acid
CID 175022867
3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide
CID 88807331
3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 57394421

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide (CID 88911387) is 3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide is CCC(=O)N/C(N)=N/C(=O)c1nc(Cl)c(NC)nc1N.
What is the InChIKey of 3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide?
The InChIKey is YVYWDWDFEOLKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN7O2/c1-3-4(19)15-10(13)18-9(20)5-7(12)17-8(14-2)6(11)16-5/h3H2,1-2H3,(H3,12,14,17)(H3,13,15,18,19,20).
What are the key properties of 3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide?
3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide has a molecular weight of 299.72 g/mol, XLogP of -0.26, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 88911387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).