4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol

C19H17N5O2 — CID 59339225

IUPAC4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
SMILESCOc1cccc(Nc2ccc3nnc(Cc4ccc(O)cc4)n3n2)c1
InChIInChI=1S/C19H17N5O2/c1-26-16-4-2-3-14(12-16)20-17-9-10-18-21-22-19(24(18)23-17)11-13-5-7-15(25)8-6-13/h2-10,12,25H,11H2,1H3,(H,20,23)
InChIKeyVTLFDQNDKPBSSM-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.17
Rot. Bonds5

About 4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol

4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol (PubChem CID 59339225) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
PubChem CID59339225
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
SMILESCOc1cccc(Nc2ccc3nnc(Cc4ccc(O)cc4)n3n2)c1
InChIInChI=1S/C19H17N5O2/c1-26-16-4-2-3-14(12-16)20-17-9-10-18-21-22-19(24(18)23-17)11-13-5-7-15(25)8-6-13/h2-10,12,25H,11H2,1H3,(H,20,23)
InChIKeyVTLFDQNDKPBSSM-UHFFFAOYSA-N
XLogP3.17
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59339241
3-[(4-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 16736085
3-(2H-azepin-5-ylmethyl)-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 143479801
4-[[6-[(6-methylpyridazin-3-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 143479687
N-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 59339213
4-[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 143479680
N-(3-chlorophenyl)-3-[(4-nitrophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 59339250
4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59339195
4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59338866
4-[[6-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59339217
N-(3-chlorophenyl)-3-[(4-prop-2-enylphenoxy)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 143479660
4-[[6-(4-methoxyanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]phenol
CID 59339164

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The IUPAC name of 4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol (CID 59339225) is 4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The canonical SMILES for 4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol is COc1cccc(Nc2ccc3nnc(Cc4ccc(O)cc4)n3n2)c1.
What is the InChIKey of 4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The InChIKey is VTLFDQNDKPBSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-26-16-4-2-3-14(12-16)20-17-9-10-18-21-22-19(24(18)23-17)11-13-5-7-15(25)8-6-13/h2-10,12,25H,11H2,1H3,(H,20,23).
What are the key properties of 4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol has a molecular weight of 347.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol is sourced from PubChem (CID 59339225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).