5-methylidene-8-(3-methylphenyl)-6H-pyrido[2,3-d]pyridazine

C15H13N3 — CID 142927326

IUPAC5-methylidene-8-(3-methylphenyl)-6H-pyrido[2,3-d]pyridazine
SMILESC=C1NN=C(c2cccc(C)c2)c2ncccc21
InChIInChI=1S/C15H13N3/c1-10-5-3-6-12(9-10)14-15-13(7-4-8-16-15)11(2)17-18-14/h3-9,17H,2H2,1H3
InChIKeyCSIXQPZJFWTFFL-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.72
Rot. Bonds1

About 5-methylidene-8-(3-methylphenyl)-6H-pyrido[2,3-d]pyridazine

5-methylidene-8-(3-methylphenyl)-6H-pyrido[2,3-d]pyridazine (PubChem CID 142927326) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-methylidene-8-(3-methylphenyl)-6H-pyrido[2,3-d]pyridazine.

Molecular Properties

Compound Name5-methylidene-8-(3-methylphenyl)-6H-pyrido[2,3-d]pyridazine
PubChem CID142927326
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name5-methylidene-8-(3-methylphenyl)-6H-pyrido[2,3-d]pyridazine
SMILESC=C1NN=C(c2cccc(C)c2)c2ncccc21
InChIInChI=1S/C15H13N3/c1-10-5-3-6-12(9-10)14-15-13(7-4-8-16-15)11(2)17-18-14/h3-9,17H,2H2,1H3
InChIKeyCSIXQPZJFWTFFL-UHFFFAOYSA-N
XLogP2.72
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-methylphenyl)-2-pyridinyl]methanamine
CID 82106036
2-(difluoromethyl)-3-(3-methylphenyl)pyridine
CID 178100787
6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline
CID 90095667
8-[2-(3-methylphenyl)phenyl]quinoline
CID 134445651
6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole
CID 90095154
3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine
CID 57112868
5-[4-(3-methylphenyl)phenyl]quinoline
CID 121316110
2-bromo-1,3-bis(3-methylphenyl)benzene
CID 3691341
2-iodo-1,3-bis(3-methylphenyl)benzene
CID 170072024
3-(3-methylphenyl)-1H-pyrazin-2-one
CID 112558965
2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
CID 123620977
2-[5-[2-(3-methylphenyl)-3-pyridinyl]-2H-pyrrol-2-yl]prop-2-en-1-imine
CID 123670830

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-8-(3-methylphenyl)-6H-pyrido[2,3-d]pyridazine?
The IUPAC name of 5-methylidene-8-(3-methylphenyl)-6H-pyrido[2,3-d]pyridazine (CID 142927326) is 5-methylidene-8-(3-methylphenyl)-6H-pyrido[2,3-d]pyridazine.
What is the SMILES notation for 5-methylidene-8-(3-methylphenyl)-6H-pyrido[2,3-d]pyridazine?
The canonical SMILES for 5-methylidene-8-(3-methylphenyl)-6H-pyrido[2,3-d]pyridazine is C=C1NN=C(c2cccc(C)c2)c2ncccc21.
What is the InChIKey of 5-methylidene-8-(3-methylphenyl)-6H-pyrido[2,3-d]pyridazine?
The InChIKey is CSIXQPZJFWTFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-10-5-3-6-12(9-10)14-15-13(7-4-8-16-15)11(2)17-18-14/h3-9,17H,2H2,1H3.
What are the key properties of 5-methylidene-8-(3-methylphenyl)-6H-pyrido[2,3-d]pyridazine?
5-methylidene-8-(3-methylphenyl)-6H-pyrido[2,3-d]pyridazine has a molecular weight of 235.29 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-8-(3-methylphenyl)-6H-pyrido[2,3-d]pyridazine is sourced from PubChem (CID 142927326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).