(6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone

C24H17N3O2 — CID 633210

IUPAC(6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone
SMILES[H]/N=c1\c(C(=O)c2ccccc2)cc(C(=O)c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C24H17N3O2/c25-24-20(22(28)17-10-4-1-5-11-17)16-21(23(29)18-12-6-2-7-13-18)26-27(24)19-14-8-3-9-15-19/h1-16,25H/b25-24+
InChIKeyCNXPSEFBFHYIAQ-OCOZRVBESA-N
MW379.42 g/mol
LogP3.81
Rot. Bonds5

About (6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone

(6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone (PubChem CID 633210) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is (6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone
PubChem CID633210
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name(6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone
SMILES[H]/N=c1\c(C(=O)c2ccccc2)cc(C(=O)c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C24H17N3O2/c25-24-20(22(28)17-10-4-1-5-11-17)16-21(23(29)18-12-6-2-7-13-18)26-27(24)19-14-8-3-9-15-19/h1-16,25H/b25-24+
InChIKeyCNXPSEFBFHYIAQ-OCOZRVBESA-N
XLogP3.81
TPSA75.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone
CID 139231548
8-amino-7-benzoyl-3-imino-6-oxo-2-phenyl-5H-pyrido[3,2-c]pyridazine-4-carbonitrile
CID 135458218
phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578
(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
CID 10706606
phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone
CID 59163086
phenyl-(2-phenylbenzotriazol-4-yl)methanone
CID 122215925
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
N-[6-benzoyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]acetamide
CID 632426
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
benzamido 5-methyl-1-phenylpyrazole-3-carboxylate
CID 5019720
1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone
CID 23659234
2-benzoylbenzoic acid;hydrofluoride
CID 70485904

Frequently Asked Questions

What is the IUPAC name of (6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone?
The IUPAC name of (6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone (CID 633210) is (6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone.
What is the SMILES notation for (6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone?
The canonical SMILES for (6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone is [H]/N=c1\c(C(=O)c2ccccc2)cc(C(=O)c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of (6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone?
The InChIKey is CNXPSEFBFHYIAQ-OCOZRVBESA-N. The full InChI is InChI=1S/C24H17N3O2/c25-24-20(22(28)17-10-4-1-5-11-17)16-21(23(29)18-12-6-2-7-13-18)26-27(24)19-14-8-3-9-15-19/h1-16,25H/b25-24+.
What are the key properties of (6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone?
(6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone has a molecular weight of 379.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone is sourced from PubChem (CID 633210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).