3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide

C20H18N6O2 — CID 59339287

IUPAC3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Nc2ccc3nnc(Cc4ccc(O)cc4)n3n2)c1
InChIInChI=1S/C20H18N6O2/c1-21-20(28)14-3-2-4-15(12-14)22-17-9-10-18-23-24-19(26(18)25-17)11-13-5-7-16(27)8-6-13/h2-10,12,27H,11H2,1H3,(H,21,28)(H,22,25)
InChIKeyIGGOCBGKBUFHGK-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.52
Rot. Bonds5

About 3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide

3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide (PubChem CID 59339287) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide
PubChem CID59339287
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Nc2ccc3nnc(Cc4ccc(O)cc4)n3n2)c1
InChIInChI=1S/C20H18N6O2/c1-21-20(28)14-3-2-4-15(12-14)22-17-9-10-18-23-24-19(26(18)25-17)11-13-5-7-16(27)8-6-13/h2-10,12,27H,11H2,1H3,(H,21,28)(H,22,25)
InChIKeyIGGOCBGKBUFHGK-UHFFFAOYSA-N
XLogP2.52
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide with MolForge

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Related Compounds

4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59339225
4-[[6-[(6-methylpyridazin-3-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 143479687
N-(3-chlorophenyl)-3-[(4-nitrophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 59339250
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
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
4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59339195
N-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide
CID 58243304
4-[[6-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59339217
4-[[6-(3-isocyanoanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]phenol
CID 59339198
N-[2-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclohexyl]-3-methoxypropanamide
CID 143479658
4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59338866

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide (CID 59339287) is 3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide is CNC(=O)c1cccc(Nc2ccc3nnc(Cc4ccc(O)cc4)n3n2)c1.
What is the InChIKey of 3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide?
The InChIKey is IGGOCBGKBUFHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-21-20(28)14-3-2-4-15(12-14)22-17-9-10-18-23-24-19(26(18)25-17)11-13-5-7-16(27)8-6-13/h2-10,12,27H,11H2,1H3,(H,21,28)(H,22,25).
What are the key properties of 3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide?
3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide has a molecular weight of 374.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 59339287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).