3-methyl-6-(4-pyrimidin-5-ylphenyl)pyridazine

C15H12N4 — CID 118348407

IUPAC3-methyl-6-(4-pyrimidin-5-ylphenyl)pyridazine
SMILESCc1ccc(-c2ccc(-c3cncnc3)cc2)nn1
InChIInChI=1S/C15H12N4/c1-11-2-7-15(19-18-11)13-5-3-12(4-6-13)14-8-16-10-17-9-14/h2-10H,1H3
InChIKeyKEISEDDKZFZLAK-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.91
Rot. Bonds2

About 3-methyl-6-(4-pyrimidin-5-ylphenyl)pyridazine

3-methyl-6-(4-pyrimidin-5-ylphenyl)pyridazine (PubChem CID 118348407) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-methyl-6-(4-pyrimidin-5-ylphenyl)pyridazine.

Molecular Properties

Compound Name3-methyl-6-(4-pyrimidin-5-ylphenyl)pyridazine
PubChem CID118348407
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name3-methyl-6-(4-pyrimidin-5-ylphenyl)pyridazine
SMILESCc1ccc(-c2ccc(-c3cncnc3)cc2)nn1
InChIInChI=1S/C15H12N4/c1-11-2-7-15(19-18-11)13-5-3-12(4-6-13)14-8-16-10-17-9-14/h2-10H,1H3
InChIKeyKEISEDDKZFZLAK-UHFFFAOYSA-N
XLogP2.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-6-pyridin-3-ylpyridazine
CID 89161646
3-methyl-6-(4-methylphenyl)pyridazine;3-methyl-6-(5-methyl-2-pyridinyl)pyridazine
CID 144588517
3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine
CID 118345276
5-(6-methyl-3-pyridinyl)pyrimidine
CID 88985866
3-methyl-6-[6-(6-methyl-3-pyridinyl)-3-pyridinyl]pyridazine
CID 118345277
5-(4-methylphenyl)pyrimidine;propane
CID 145118133
4-(6-methylpyridazin-3-yl)benzoic acid
CID 53426337
N,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)phenyl]ethanamine
CID 119062682
N-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 141392358
(E)-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol
CID 22630882
5-[4-(2-methylphenyl)phenyl]pyrimidine
CID 146397515
(1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol
CID 149104383

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-pyrimidin-5-ylphenyl)pyridazine?
The IUPAC name of 3-methyl-6-(4-pyrimidin-5-ylphenyl)pyridazine (CID 118348407) is 3-methyl-6-(4-pyrimidin-5-ylphenyl)pyridazine.
What is the SMILES notation for 3-methyl-6-(4-pyrimidin-5-ylphenyl)pyridazine?
The canonical SMILES for 3-methyl-6-(4-pyrimidin-5-ylphenyl)pyridazine is Cc1ccc(-c2ccc(-c3cncnc3)cc2)nn1.
What is the InChIKey of 3-methyl-6-(4-pyrimidin-5-ylphenyl)pyridazine?
The InChIKey is KEISEDDKZFZLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-11-2-7-15(19-18-11)13-5-3-12(4-6-13)14-8-16-10-17-9-14/h2-10H,1H3.
What are the key properties of 3-methyl-6-(4-pyrimidin-5-ylphenyl)pyridazine?
3-methyl-6-(4-pyrimidin-5-ylphenyl)pyridazine has a molecular weight of 248.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-pyrimidin-5-ylphenyl)pyridazine is sourced from PubChem (CID 118348407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).