3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one

C18H17N3O — CID 58254647

IUPAC3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one
SMILESCc1cc(-c2ccc(=O)[nH]n2)ccc1NCc1ccccc1
InChIInChI=1S/C18H17N3O/c1-13-11-15(17-9-10-18(22)21-20-17)7-8-16(13)19-12-14-5-3-2-4-6-14/h2-11,19H,12H2,1H3,(H,21,22)
InChIKeyUTQBTEJVNZUJEE-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.36
Rot. Bonds4

About 3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one

3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one (PubChem CID 58254647) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one
PubChem CID58254647
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one
SMILESCc1cc(-c2ccc(=O)[nH]n2)ccc1NCc1ccccc1
InChIInChI=1S/C18H17N3O/c1-13-11-15(17-9-10-18(22)21-20-17)7-8-16(13)19-12-14-5-3-2-4-6-14/h2-11,19H,12H2,1H3,(H,21,22)
InChIKeyUTQBTEJVNZUJEE-UHFFFAOYSA-N
XLogP3.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one
CID 168527891
3-[2-(benzylamino)-5-(6-oxo-1H-pyridazin-3-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557819
4-amino-5-[2-(benzylamino)-5-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330574
3-[4-[(dimethylamino)methyl]-3-methylphenyl]-1H-pyridazin-6-one
CID 58254667
N-benzyl-2-methyl-4-nitroaniline
CID 2851650
2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide
CID 53054093
N-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 53004371
4-(benzylamino)-3-iodo-1H-pyridin-2-one
CID 58053867
3-[4-(propan-2-ylamino)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 70831480
3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one
CID 58254596
1,4,5,8-tetrakis(benzylamino)anthracene-9,10-dione
CID 154150456
N-benzyl-2-methylaniline;propanoic acid
CID 175171674

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one (CID 58254647) is 3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one is Cc1cc(-c2ccc(=O)[nH]n2)ccc1NCc1ccccc1.
What is the InChIKey of 3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one?
The InChIKey is UTQBTEJVNZUJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-11-15(17-9-10-18(22)21-20-17)7-8-16(13)19-12-14-5-3-2-4-6-14/h2-11,19H,12H2,1H3,(H,21,22).
What are the key properties of 3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one?
3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one has a molecular weight of 291.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 58254647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).