4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one

C14H16ClN3O — CID 115644108

IUPAC4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
SMILESCCc1ccccc1CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C14H16ClN3O/c1-3-10-6-4-5-7-11(10)8-16-12-9-17-18(2)14(19)13(12)15/h4-7,9,16H,3,8H2,1-2H3
InChIKeyANLLJBVAXCVQOU-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.61
Rot. Bonds4

About 4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one

4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one (PubChem CID 115644108) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
PubChem CID115644108
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
SMILESCCc1ccccc1CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C14H16ClN3O/c1-3-10-6-4-5-7-11(10)8-16-12-9-17-18(2)14(19)13(12)15/h4-7,9,16H,3,8H2,1-2H3
InChIKeyANLLJBVAXCVQOU-UHFFFAOYSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 33286975
4-chloro-2-methyl-5-[(2-nitrophenyl)methylamino]pyridazin-3-one
CID 47281920
4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one
CID 115613225
4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one
CID 104576609
4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one
CID 47174554
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
CID 47281719
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one
CID 114444517
5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one
CID 133324149
N-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 115899733
4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 115621009

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one (CID 115644108) is 4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one is CCc1ccccc1CNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one?
The InChIKey is ANLLJBVAXCVQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-10-6-4-5-7-11(10)8-16-12-9-17-18(2)14(19)13(12)15/h4-7,9,16H,3,8H2,1-2H3.
What are the key properties of 4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one?
4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one has a molecular weight of 277.76 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 115644108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).