3-amino-5-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide

C12H13ClN6O2 — CID 86600909

IUPAC3-amino-5-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide
SMILESCC(C)n1nc(-c2nc(C(N)=O)c(N)nc2Cl)ccc1=O
InChIInChI=1S/C12H13ClN6O2/c1-5(2)19-7(20)4-3-6(18-19)8-10(13)17-11(14)9(16-8)12(15)21/h3-5H,1-2H3,(H2,14,17)(H2,15,21)
InChIKeyOHCCYCHXLGVEJZ-UHFFFAOYSA-N
MW308.73 g/mol
LogP0.62
Rot. Bonds3

About 3-amino-5-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide

3-amino-5-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide (PubChem CID 86600909) has the molecular formula C12H13ClN6O2 and a molecular weight of 308.73 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide
PubChem CID86600909
Molecular FormulaC12H13ClN6O2
Molecular Weight308.73 g/mol
Exact Mass308.08
IUPAC Name3-amino-5-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide
SMILESCC(C)n1nc(-c2nc(C(N)=O)c(N)nc2Cl)ccc1=O
InChIInChI=1S/C12H13ClN6O2/c1-5(2)19-7(20)4-3-6(18-19)8-10(13)17-11(14)9(16-8)12(15)21/h3-5H,1-2H3,(H2,14,17)(H2,15,21)
InChIKeyOHCCYCHXLGVEJZ-UHFFFAOYSA-N
XLogP0.62
TPSA129.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide
CID 69331975
3-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide
CID 141124036
3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile
CID 69331459
6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one
CID 69331884
3,5-diamino-6-chloropyrazine-2-carboxamide
CID 604343
6-[5-amino-3-phenyl-6-(2-phenylethylamino)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one
CID 69331904
3-amino-5-(4-fluorophenyl)-6-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 91173531
3-amino-6-(6-oxo-1-propyl-3-pyridinyl)-5-phenylpyrazine-2-carboxamide
CID 69103632
6-bromo-2-propan-2-ylpyridazin-3-one
CID 91658692
6-(6-bromo-5-nitroso-3-phenylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one
CID 87787330
5-[(6-oxo-1-propan-2-ylpyridazin-3-yl)methyl]-4-phenyl-1,3-thiazole-2-carboxamide
CID 91558898
3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide
CID 130008687

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-5-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide (CID 86600909) is 3-amino-5-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-5-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-5-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide is CC(C)n1nc(-c2nc(C(N)=O)c(N)nc2Cl)ccc1=O.
What is the InChIKey of 3-amino-5-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide?
The InChIKey is OHCCYCHXLGVEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN6O2/c1-5(2)19-7(20)4-3-6(18-19)8-10(13)17-11(14)9(16-8)12(15)21/h3-5H,1-2H3,(H2,14,17)(H2,15,21).
What are the key properties of 3-amino-5-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide?
3-amino-5-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide has a molecular weight of 308.73 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 86600909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).