5-[3-(4-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylphenol

C19H15ClN4O2 — CID 53353172

IUPAC5-[3-(4-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylphenol
SMILESCOc1cc(Cl)ccc1-c1nnc2ccc(-c3ccc(C)c(O)c3)nn12
InChIInChI=1S/C19H15ClN4O2/c1-11-3-4-12(9-16(11)25)15-7-8-18-21-22-19(24(18)23-15)14-6-5-13(20)10-17(14)26-2/h3-10,25H,1-2H3
InChIKeyTUSYENIIGMMALP-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.13
Rot. Bonds3

About 5-[3-(4-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylphenol

5-[3-(4-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylphenol (PubChem CID 53353172) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 5-[3-(4-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylphenol.

Molecular Properties

Compound Name5-[3-(4-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylphenol
PubChem CID53353172
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name5-[3-(4-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylphenol
SMILESCOc1cc(Cl)ccc1-c1nnc2ccc(-c3ccc(C)c(O)c3)nn12
InChIInChI=1S/C19H15ClN4O2/c1-11-3-4-12(9-16(11)25)15-7-8-18-21-22-19(24(18)23-15)14-6-5-13(20)10-17(14)26-2/h3-10,25H,1-2H3
InChIKeyTUSYENIIGMMALP-UHFFFAOYSA-N
XLogP4.13
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-(4-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylphenol with MolForge

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Related Compounds

2-[6-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]phenol
CID 136738691
4-methoxy-3-[3-(2-methoxy-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline
CID 57413857
6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43327050
3-(2-methoxy-5-methylphenyl)-6-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 58256248
3-(4-chloro-2-methoxyphenyl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 59665073
3-(2,5-dimethoxyphenyl)-6-[4-methyl-3-[[(3S)-oxolan-3-yl]methyl]phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 70256798
4-[3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
CID 134143976
N-(5-chloro-2-methoxyphenyl)-2-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
CID 40981955
4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 137120111
3-(4-chlorophenyl)-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 46500299
6-(4-chloro-2-methoxyphenyl)pyridin-3-ol
CID 53229509
6-chloro-3-(2,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43327057

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylphenol?
The IUPAC name of 5-[3-(4-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylphenol (CID 53353172) is 5-[3-(4-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylphenol.
What is the SMILES notation for 5-[3-(4-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylphenol?
The canonical SMILES for 5-[3-(4-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylphenol is COc1cc(Cl)ccc1-c1nnc2ccc(-c3ccc(C)c(O)c3)nn12.
What is the InChIKey of 5-[3-(4-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylphenol?
The InChIKey is TUSYENIIGMMALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-11-3-4-12(9-16(11)25)15-7-8-18-21-22-19(24(18)23-15)14-6-5-13(20)10-17(14)26-2/h3-10,25H,1-2H3.
What are the key properties of 5-[3-(4-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylphenol?
5-[3-(4-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylphenol has a molecular weight of 366.81 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylphenol is sourced from PubChem (CID 53353172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).