6-methyl-8-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C18H22N6S — CID 176503005

IUPAC6-methyl-8-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCSc1ccc(CN2CCN(c3cc(C)nn4cnnc34)CC2)cc1
InChIInChI=1S/C18H22N6S/c1-14-11-17(18-20-19-13-24(18)21-14)23-9-7-22(8-10-23)12-15-3-5-16(25-2)6-4-15/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyDGVATLOTPIALBM-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.48
Rot. Bonds4

About 6-methyl-8-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-methyl-8-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 176503005) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is 6-methyl-8-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-methyl-8-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID176503005
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name6-methyl-8-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCSc1ccc(CN2CCN(c3cc(C)nn4cnnc34)CC2)cc1
InChIInChI=1S/C18H22N6S/c1-14-11-17(18-20-19-13-24(18)21-14)23-9-7-22(8-10-23)12-15-3-5-16(25-2)6-4-15/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyDGVATLOTPIALBM-UHFFFAOYSA-N
XLogP2.48
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methyl-8-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 39861282
8-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 176502925
N,N-dimethyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]acetamide
CID 176506057
1-(2,3-dimethylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine
CID 1377205
6-phenyl-8-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 176503495
1-[(2,4-dimethylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine
CID 23767471
1-[(4-methylsulfanylphenyl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 74235053
1-[(1-methylimidazol-2-yl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine
CID 77080320
1-ethylsulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazine
CID 719602
ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine
CID 145130487
1-[(4-ethylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 2901181
1-(4,6-dimethylpyrimidin-2-yl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 78845397

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-methyl-8-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 176503005) is 6-methyl-8-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-methyl-8-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-methyl-8-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is CSc1ccc(CN2CCN(c3cc(C)nn4cnnc34)CC2)cc1.
What is the InChIKey of 6-methyl-8-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is DGVATLOTPIALBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-14-11-17(18-20-19-13-24(18)21-14)23-9-7-22(8-10-23)12-15-3-5-16(25-2)6-4-15/h3-6,11,13H,7-10,12H2,1-2H3.
What are the key properties of 6-methyl-8-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-methyl-8-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 354.48 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 176503005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).