4-[[6-(5-chloro-2-methylanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol

C19H16ClN5O — CID 59339030

IUPAC4-[[6-(5-chloro-2-methylanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
SMILESCc1ccc(Cl)cc1Nc1ccc2nnc(Cc3ccc(O)cc3)n2n1
InChIInChI=1S/C19H16ClN5O/c1-12-2-5-14(20)11-16(12)21-17-8-9-18-22-23-19(25(18)24-17)10-13-3-6-15(26)7-4-13/h2-9,11,26H,10H2,1H3,(H,21,24)
InChIKeyJFGDVKOFKNZDMZ-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.13
Rot. Bonds4

About 4-[[6-(5-chloro-2-methylanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol

4-[[6-(5-chloro-2-methylanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol (PubChem CID 59339030) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 4-[[6-(5-chloro-2-methylanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[6-(5-chloro-2-methylanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
PubChem CID59339030
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name4-[[6-(5-chloro-2-methylanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
SMILESCc1ccc(Cl)cc1Nc1ccc2nnc(Cc3ccc(O)cc3)n2n1
InChIInChI=1S/C19H16ClN5O/c1-12-2-5-14(20)11-16(12)21-17-8-9-18-22-23-19(25(18)24-17)10-13-3-6-15(26)7-4-13/h2-9,11,26H,10H2,1H3,(H,21,24)
InChIKeyJFGDVKOFKNZDMZ-UHFFFAOYSA-N
XLogP4.13
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 16736304
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
3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide
CID 59339287
4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59338866
N-(3-chlorophenyl)-3-[(4-nitrophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 59339250
4-[[6-[[(2S)-2-phenylcyclopropyl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 143479741
4-[[6-(3,5-dichloroanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]phenol
CID 59339210
2-fluoro-4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59339241
3-[6-[(4-chlorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(2-methylphenyl)propanamide
CID 20957347
N-(5-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838585
N-[2-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclohexyl]-3-methoxypropanamide
CID 143479658

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(5-chloro-2-methylanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The IUPAC name of 4-[[6-(5-chloro-2-methylanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol (CID 59339030) is 4-[[6-(5-chloro-2-methylanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[6-(5-chloro-2-methylanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The canonical SMILES for 4-[[6-(5-chloro-2-methylanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol is Cc1ccc(Cl)cc1Nc1ccc2nnc(Cc3ccc(O)cc3)n2n1.
What is the InChIKey of 4-[[6-(5-chloro-2-methylanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The InChIKey is JFGDVKOFKNZDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-12-2-5-14(20)11-16(12)21-17-8-9-18-22-23-19(25(18)24-17)10-13-3-6-15(26)7-4-13/h2-9,11,26H,10H2,1H3,(H,21,24).
What are the key properties of 4-[[6-(5-chloro-2-methylanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
4-[[6-(5-chloro-2-methylanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol has a molecular weight of 365.82 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(5-chloro-2-methylanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol is sourced from PubChem (CID 59339030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).