1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone

C15H11N3O — CID 619121

IUPAC1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone
SMILESO=C(Cc1nncc2cccnc12)c1ccccc1
InChIInChI=1S/C15H11N3O/c19-14(11-5-2-1-3-6-11)9-13-15-12(10-17-18-13)7-4-8-16-15/h1-8,10H,9H2
InChIKeyKVODGCLVIKKSIN-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.45
Rot. Bonds3

About 1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone

1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone (PubChem CID 619121) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone.

Molecular Properties

Compound Name1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone
PubChem CID619121
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone
SMILESO=C(Cc1nncc2cccnc12)c1ccccc1
InChIInChI=1S/C15H11N3O/c19-14(11-5-2-1-3-6-11)9-13-15-12(10-17-18-13)7-4-8-16-15/h1-8,10H,9H2
InChIKeyKVODGCLVIKKSIN-UHFFFAOYSA-N
XLogP2.45
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-quinolin-8-ylethanone
CID 171934139
8-(bromomethyl)pyrido[2,3-d]pyridazine
CID 151069690
tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium
CID 161336621
2-(3-amino-2-pyridinyl)-1-phenylethanone
CID 90333679
N-(2-phenacyl-3-pyridinyl)acetamide;hydrochloride
CID 172746297
1-phenyl-2-quinolin-8-ylsulfanylethanone
CID 23884541
1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
2-phthalazin-1-ylacetic acid;hydrate
CID 141001689
pyrido[2,3-d]pyridazin-8-amine
CID 55281403
N'-(2-quinolin-8-ylacetyl)benzohydrazide
CID 24663185
1-phenylpropan-1-one;quinoline
CID 174570718
2-phenyl-1-quinolin-8-ylethanone
CID 10999362

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone?
The IUPAC name of 1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone (CID 619121) is 1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone.
What is the SMILES notation for 1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone?
The canonical SMILES for 1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone is O=C(Cc1nncc2cccnc12)c1ccccc1.
What is the InChIKey of 1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone?
The InChIKey is KVODGCLVIKKSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c19-14(11-5-2-1-3-6-11)9-13-15-12(10-17-18-13)7-4-8-16-15/h1-8,10H,9H2.
What are the key properties of 1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone?
1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone has a molecular weight of 249.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone is sourced from PubChem (CID 619121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).