3-[(2-chlorophenyl)methylamino]-1H-pyridazin-6-one

C11H10ClN3O — CID 121205953

IUPAC3-[(2-chlorophenyl)methylamino]-1H-pyridazin-6-one
SMILESO=c1ccc(NCc2ccccc2Cl)n[nH]1
InChIInChI=1S/C11H10ClN3O/c12-9-4-2-1-3-8(9)7-13-10-5-6-11(16)15-14-10/h1-6H,7H2,(H,13,14)(H,15,16)
InChIKeyVNFAAPJXCPMRNC-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.04
Rot. Bonds3

About 3-[(2-chlorophenyl)methylamino]-1H-pyridazin-6-one

3-[(2-chlorophenyl)methylamino]-1H-pyridazin-6-one (PubChem CID 121205953) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylamino]-1H-pyridazin-6-one
PubChem CID121205953
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name3-[(2-chlorophenyl)methylamino]-1H-pyridazin-6-one
SMILESO=c1ccc(NCc2ccccc2Cl)n[nH]1
InChIInChI=1S/C11H10ClN3O/c12-9-4-2-1-3-8(9)7-13-10-5-6-11(16)15-14-10/h1-6H,7H2,(H,13,14)(H,15,16)
InChIKeyVNFAAPJXCPMRNC-UHFFFAOYSA-N
XLogP2.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorophenyl)methoxy]-1H-pyridazin-6-one
CID 13157421
N-[(2-chlorophenyl)methyl]pyrimidin-4-amine
CID 61253357
N-[(2-chlorophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 78981083
3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one
CID 126992242
N-[(2-chlorophenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832010
2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
CID 135764107
3-(3-phenylpropylamino)-1H-pyridazin-6-one
CID 121205918
4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 80784844
N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134876
N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113041532
6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80785211
4-N,6-N-bis[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 22538950

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 3-[(2-chlorophenyl)methylamino]-1H-pyridazin-6-one (CID 121205953) is 3-[(2-chlorophenyl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(2-chlorophenyl)methylamino]-1H-pyridazin-6-one is O=c1ccc(NCc2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-[(2-chlorophenyl)methylamino]-1H-pyridazin-6-one?
The InChIKey is VNFAAPJXCPMRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-9-4-2-1-3-8(9)7-13-10-5-6-11(16)15-14-10/h1-6H,7H2,(H,13,14)(H,15,16).
What are the key properties of 3-[(2-chlorophenyl)methylamino]-1H-pyridazin-6-one?
3-[(2-chlorophenyl)methylamino]-1H-pyridazin-6-one has a molecular weight of 235.67 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 121205953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).