(2-methylphenyl)-pyridazin-3-ylmethanol

C12H12N2O — CID 21387678

IUPAC(2-methylphenyl)-pyridazin-3-ylmethanol
SMILESCc1ccccc1C(O)c1cccnn1
InChIInChI=1S/C12H12N2O/c1-9-5-2-3-6-10(9)12(15)11-7-4-8-13-14-11/h2-8,12,15H,1H3
InChIKeyNJPYJDYPFKGEGZ-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.87
Rot. Bonds2

About (2-methylphenyl)-pyridazin-3-ylmethanol

(2-methylphenyl)-pyridazin-3-ylmethanol (PubChem CID 21387678) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (2-methylphenyl)-pyridazin-3-ylmethanol.

Molecular Properties

Compound Name(2-methylphenyl)-pyridazin-3-ylmethanol
PubChem CID21387678
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(2-methylphenyl)-pyridazin-3-ylmethanol
SMILESCc1ccccc1C(O)c1cccnn1
InChIInChI=1S/C12H12N2O/c1-9-5-2-3-6-10(9)12(15)11-7-4-8-13-14-11/h2-8,12,15H,1H3
InChIKeyNJPYJDYPFKGEGZ-UHFFFAOYSA-N
XLogP1.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Pyridazin-3-yl)ethan-1-ol
CID 15197511
(+/-) 3-alpha-Hydroxybenzylpyridazine
CID 10397539
Phenyl(4-pyridazinyl)methanol
CID 13205669
3-(a-Methoxybenzyl)pyridazine
CID 15684250
1-Phenyl-1-pyridazin-3-ylethanol
CID 15684261
[3-(6-Methylpyridazin-3-yl)phenyl]methanol
CID 91654733
1-[2-(1H-pyrazol-5-yl)phenyl]pentan-1-ol
CID 177643384
Diphenyl(pyridazin-3-yl)methanol
CID 10264686
4-(a-Methoxybenzyl)pyridazin
CID 13205671
3-Pyridazinemethanol, 6-[4-(trifluoromethyl)phenyl]-
CID 21935719
2-(6-fluoro-2-methyl-3-pyridazin-3-yl-3H-inden-1-yl)ethanol
CID 57108506
2-(6-fluoro-3-pyridazin-3-ylmethyl-1H-inden-2-yl)-ethanol
CID 60056865

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-pyridazin-3-ylmethanol?
The IUPAC name of (2-methylphenyl)-pyridazin-3-ylmethanol (CID 21387678) is (2-methylphenyl)-pyridazin-3-ylmethanol.
What is the SMILES notation for (2-methylphenyl)-pyridazin-3-ylmethanol?
The canonical SMILES for (2-methylphenyl)-pyridazin-3-ylmethanol is Cc1ccccc1C(O)c1cccnn1.
What is the InChIKey of (2-methylphenyl)-pyridazin-3-ylmethanol?
The InChIKey is NJPYJDYPFKGEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-5-2-3-6-10(9)12(15)11-7-4-8-13-14-11/h2-8,12,15H,1H3.
What are the key properties of (2-methylphenyl)-pyridazin-3-ylmethanol?
(2-methylphenyl)-pyridazin-3-ylmethanol has a molecular weight of 200.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-pyridazin-3-ylmethanol is sourced from PubChem (CID 21387678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).