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

C12H12ClN5O2 — CID 141124036

IUPAC3-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide
SMILESCC(C)n1nc(-c2cnc(Cl)c(C(N)=O)n2)ccc1=O
InChIInChI=1S/C12H12ClN5O2/c1-6(2)18-9(19)4-3-7(17-18)8-5-15-11(13)10(16-8)12(14)20/h3-6H,1-2H3,(H2,14,20)
InChIKeyBUTCNFXPDOQNIX-UHFFFAOYSA-N
MW293.71 g/mol
LogP1.03
Rot. Bonds3

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

3-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide (PubChem CID 141124036) has the molecular formula C12H12ClN5O2 and a molecular weight of 293.71 g/mol. Its IUPAC name is 3-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide
PubChem CID141124036
Molecular FormulaC12H12ClN5O2
Molecular Weight293.71 g/mol
Exact Mass293.07
IUPAC Name3-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide
SMILESCC(C)n1nc(-c2cnc(Cl)c(C(N)=O)n2)ccc1=O
InChIInChI=1S/C12H12ClN5O2/c1-6(2)18-9(19)4-3-7(17-18)8-5-15-11(13)10(16-8)12(14)20/h3-6H,1-2H3,(H2,14,20)
InChIKeyBUTCNFXPDOQNIX-UHFFFAOYSA-N
XLogP1.03
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide (CID 141124036) is 3-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide is CC(C)n1nc(-c2cnc(Cl)c(C(N)=O)n2)ccc1=O.
What is the InChIKey of 3-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide?
The InChIKey is BUTCNFXPDOQNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O2/c1-6(2)18-9(19)4-3-7(17-18)8-5-15-11(13)10(16-8)12(14)20/h3-6H,1-2H3,(H2,14,20).
What are the key properties of 3-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide?
3-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide has a molecular weight of 293.71 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 141124036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).