4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one

C12H17ClN6O — CID 106303437

IUPAC4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2nncn2CC)c(Cl)c1=O
InChIInChI=1S/C12H17ClN6O/c1-3-5-19-12(20)11(13)9(6-16-19)14-7-10-17-15-8-18(10)4-2/h6,8,14H,3-5,7H2,1-2H3
InChIKeyZVGBRLUHZFGLMB-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.53
Rot. Bonds6

About 4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one

4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one (PubChem CID 106303437) has the molecular formula C12H17ClN6O and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one
PubChem CID106303437
Molecular FormulaC12H17ClN6O
Molecular Weight296.76 g/mol
Exact Mass296.12
IUPAC Name4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2nncn2CC)c(Cl)c1=O
InChIInChI=1S/C12H17ClN6O/c1-3-5-19-12(20)11(13)9(6-16-19)14-7-10-17-15-8-18(10)4-2/h6,8,14H,3-5,7H2,1-2H3
InChIKeyZVGBRLUHZFGLMB-UHFFFAOYSA-N
XLogP1.53
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one
CID 114434254
4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114443493
4-bromo-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 106303387
4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one
CID 106373847
5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one
CID 114442009
4-chloro-5-(3-hydroxybutylamino)-2-propylpyridazin-3-one
CID 114439110
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 106337789
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114436229
4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114437685
4-chloro-5-[(2,2-dimethylcyclopropyl)methylamino]-2-propylpyridazin-3-one
CID 114108582
2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437610
4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114433908

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one (CID 106303437) is 4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCc2nncn2CC)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one?
The InChIKey is ZVGBRLUHZFGLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6O/c1-3-5-19-12(20)11(13)9(6-16-19)14-7-10-17-15-8-18(10)4-2/h6,8,14H,3-5,7H2,1-2H3.
What are the key properties of 4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one?
4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one has a molecular weight of 296.76 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 106303437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).