(5-methylpyridazin-4-yl)-phenylmethanol

C12H12N2O — CID 13205673

IUPAC(5-methylpyridazin-4-yl)-phenylmethanol
SMILESCc1cnncc1C(O)c1ccccc1
InChIInChI=1S/C12H12N2O/c1-9-7-13-14-8-11(9)12(15)10-5-3-2-4-6-10/h2-8,12,15H,1H3
InChIKeyZSHUAEMPDLQRQE-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.87
Rot. Bonds2

About (5-methylpyridazin-4-yl)-phenylmethanol

(5-methylpyridazin-4-yl)-phenylmethanol (PubChem CID 13205673) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (5-methylpyridazin-4-yl)-phenylmethanol.

Molecular Properties

Compound Name(5-methylpyridazin-4-yl)-phenylmethanol
PubChem CID13205673
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(5-methylpyridazin-4-yl)-phenylmethanol
SMILESCc1cnncc1C(O)c1ccccc1
InChIInChI=1S/C12H12N2O/c1-9-7-13-14-8-11(9)12(15)10-5-3-2-4-6-10/h2-8,12,15H,1H3
InChIKeyZSHUAEMPDLQRQE-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

Analyze (5-methylpyridazin-4-yl)-phenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-methylpyridazin-4-yl)-phenylmethanol?
The IUPAC name of (5-methylpyridazin-4-yl)-phenylmethanol (CID 13205673) is (5-methylpyridazin-4-yl)-phenylmethanol.
What is the SMILES notation for (5-methylpyridazin-4-yl)-phenylmethanol?
The canonical SMILES for (5-methylpyridazin-4-yl)-phenylmethanol is Cc1cnncc1C(O)c1ccccc1.
What is the InChIKey of (5-methylpyridazin-4-yl)-phenylmethanol?
The InChIKey is ZSHUAEMPDLQRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-7-13-14-8-11(9)12(15)10-5-3-2-4-6-10/h2-8,12,15H,1H3.
What are the key properties of (5-methylpyridazin-4-yl)-phenylmethanol?
(5-methylpyridazin-4-yl)-phenylmethanol 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 (5-methylpyridazin-4-yl)-phenylmethanol is sourced from PubChem (CID 13205673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).