6-(3-benzyl-1-methylpyrazol-4-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3-benzyl-1-methylpyrazol-4-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;6-(3-benzyl-1-methylpyrazol-4-yl)-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C53H52ClN19 — CID 144627219

IUPAC6-(3-benzyl-1-methylpyrazol-4-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3-benzyl-1-methylpyrazol-4-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;6-(3-benzyl-1-methylpyrazol-4-yl)-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCNc1cc(-c2cn(C)nc2Cc2ccccc2)nn2c(C)nnc12.Cc1cc(-c2cn(C)nc2Cc2ccccc2)nn2c(C)nnc12.Cc1nnc2c(Cl)cc(-c3cn(C)nc3Cc3ccccc3)nn12
InChIInChI=1S/C18H19N7.C18H18N6.C17H15ClN6/c1-12-20-21-18-17(19-2)10-16(23-25(12)18)14-11-24(3)22-15(14)9-13-7-5-4-6-8-13;1-12-9-16(22-24-13(2)19-20-18(12)24)15-11-23(3)21-17(15)10-14-7-5-4-6-8-14;1-11-19-20-17-14(18)9-16(22-24(11)17)13-10-23(2)21-15(13)8-12-6-4-3-5-7-12/h4-8,10-11,19H,9H2,1-3H3;4-9,11H,10H2,1-3H3;3-7,9-10H,8H2,1-2H3
InChIKeyNWEVIDQMIXVJIQ-UHFFFAOYSA-N
MW990.58 g/mol
LogP8.28
Rot. Bonds10

About 6-(3-benzyl-1-methylpyrazol-4-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3-benzyl-1-methylpyrazol-4-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;6-(3-benzyl-1-methylpyrazol-4-yl)-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

6-(3-benzyl-1-methylpyrazol-4-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3-benzyl-1-methylpyrazol-4-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;6-(3-benzyl-1-methylpyrazol-4-yl)-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 144627219) has the molecular formula C53H52ClN19 and a molecular weight of 990.58 g/mol. Its IUPAC name is 6-(3-benzyl-1-methylpyrazol-4-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3-benzyl-1-methylpyrazol-4-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;6-(3-benzyl-1-methylpyrazol-4-yl)-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(3-benzyl-1-methylpyrazol-4-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3-benzyl-1-methylpyrazol-4-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;6-(3-benzyl-1-methylpyrazol-4-yl)-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID144627219
Molecular FormulaC53H52ClN19
Molecular Weight990.58 g/mol
Exact Mass989.43
IUPAC Name6-(3-benzyl-1-methylpyrazol-4-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3-benzyl-1-methylpyrazol-4-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;6-(3-benzyl-1-methylpyrazol-4-yl)-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCNc1cc(-c2cn(C)nc2Cc2ccccc2)nn2c(C)nnc12.Cc1cc(-c2cn(C)nc2Cc2ccccc2)nn2c(C)nnc12.Cc1nnc2c(Cl)cc(-c3cn(C)nc3Cc3ccccc3)nn12
InChIInChI=1S/C18H19N7.C18H18N6.C17H15ClN6/c1-12-20-21-18-17(19-2)10-16(23-25(12)18)14-11-24(3)22-15(14)9-13-7-5-4-6-8-13;1-12-9-16(22-24-13(2)19-20-18(12)24)15-11-23(3)21-17(15)10-14-7-5-4-6-8-14;1-11-19-20-17-14(18)9-16(22-24(11)17)13-10-23(2)21-15(13)8-12-6-4-3-5-7-12/h4-8,10-11,19H,9H2,1-3H3;4-9,11H,10H2,1-3H3;3-7,9-10H,8H2,1-2H3
InChIKeyNWEVIDQMIXVJIQ-UHFFFAOYSA-N
XLogP8.28
TPSA194.73 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500990.58
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 6-(3-benzyl-1-methylpyrazol-4-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3-benzyl-1-methylpyrazol-4-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;6-(3-benzyl-1-methylpyrazol-4-yl)-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

2-chloro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766169
3-chloro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766320
4-chloro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766322
KB Src 4
CID 73349077
(S)-1-(2-(4-(3-chloro-6-(1-methyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazin-4-yl)piperazin-1-yl)pyrimidin-5-yl)-1-(4-fluorophenyl)ethanamine
CID 142446454
3-(2-Chloro-4-pyridinyl)-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
CID 60182387
5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
CID 127050851
1-[(1-benzyltriazol-4-yl)methyl]-N-methyl-3-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 145966620
5-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]-N,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine
CID 68182005
N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]imidazo[1,2-b]pyridazin-8-amine
CID 71525358
6-(2-chlorophenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
CID 71526078
6-(3-chlorophenyl)-N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
CID 71526443

Frequently Asked Questions

What is the IUPAC name of 6-(3-benzyl-1-methylpyrazol-4-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3-benzyl-1-methylpyrazol-4-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;6-(3-benzyl-1-methylpyrazol-4-yl)-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(3-benzyl-1-methylpyrazol-4-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3-benzyl-1-methylpyrazol-4-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;6-(3-benzyl-1-methylpyrazol-4-yl)-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 144627219) is 6-(3-benzyl-1-methylpyrazol-4-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3-benzyl-1-methylpyrazol-4-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;6-(3-benzyl-1-methylpyrazol-4-yl)-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(3-benzyl-1-methylpyrazol-4-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3-benzyl-1-methylpyrazol-4-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;6-(3-benzyl-1-methylpyrazol-4-yl)-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(3-benzyl-1-methylpyrazol-4-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3-benzyl-1-methylpyrazol-4-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;6-(3-benzyl-1-methylpyrazol-4-yl)-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is CNc1cc(-c2cn(C)nc2Cc2ccccc2)nn2c(C)nnc12.Cc1cc(-c2cn(C)nc2Cc2ccccc2)nn2c(C)nnc12.Cc1nnc2c(Cl)cc(-c3cn(C)nc3Cc3ccccc3)nn12.
What is the InChIKey of 6-(3-benzyl-1-methylpyrazol-4-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3-benzyl-1-methylpyrazol-4-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;6-(3-benzyl-1-methylpyrazol-4-yl)-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is NWEVIDQMIXVJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7.C18H18N6.C17H15ClN6/c1-12-20-21-18-17(19-2)10-16(23-25(12)18)14-11-24(3)22-15(14)9-13-7-5-4-6-8-13;1-12-9-16(22-24-13(2)19-20-18(12)24)15-11-23(3)21-17(15)10-14-7-5-4-6-8-14;1-11-19-20-17-14(18)9-16(22-24(11)17)13-10-23(2)21-15(13)8-12-6-4-3-5-7-12/h4-8,10-11,19H,9H2,1-3H3;4-9,11H,10H2,1-3H3;3-7,9-10H,8H2,1-2H3.
What are the key properties of 6-(3-benzyl-1-methylpyrazol-4-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3-benzyl-1-methylpyrazol-4-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;6-(3-benzyl-1-methylpyrazol-4-yl)-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-(3-benzyl-1-methylpyrazol-4-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3-benzyl-1-methylpyrazol-4-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;6-(3-benzyl-1-methylpyrazol-4-yl)-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 990.58 g/mol, XLogP of 8.28, 10 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-benzyl-1-methylpyrazol-4-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3-benzyl-1-methylpyrazol-4-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;6-(3-benzyl-1-methylpyrazol-4-yl)-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 144627219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).