6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

C18H15N5S — CID 7190735

IUPAC6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)cc1
InChIInChI=1S/C18H15N5S/c1-13-4-6-14(7-5-13)12-24-17-9-8-16-20-21-18(23(16)22-17)15-3-2-10-19-11-15/h2-11H,12H2,1H3
InChIKeyLVZJGPXDIUNOMZ-UHFFFAOYSA-N
MW333.42 g/mol
LogP3.79
Rot. Bonds4

About 6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 7190735) has the molecular formula C18H15N5S and a molecular weight of 333.42 g/mol. Its IUPAC name is 6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID7190735
Molecular FormulaC18H15N5S
Molecular Weight333.42 g/mol
Exact Mass333.10
IUPAC Name6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)cc1
InChIInChI=1S/C18H15N5S/c1-13-4-6-14(7-5-13)12-24-17-9-8-16-20-21-18(23(16)22-17)15-3-2-10-19-11-15/h2-11H,12H2,1H3
InChIKeyLVZJGPXDIUNOMZ-UHFFFAOYSA-N
XLogP3.79
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-fluorophenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190719
6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190904
methyl 2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
CID 7190754
3-(3,4-dimethoxyphenyl)-6-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 7118319
benzyl 2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
CID 7190773
1-(azepan-1-yl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone
CID 7190628
1-(2,3-dihydroindol-1-yl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone
CID 5310331
N-(4-methoxyphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 7190684
ethyl 2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanoate
CID 16798826
methyl 4-[[2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetyl]amino]benzoate
CID 18561047
6-ethylsulfanyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190804
N-(2,3-dihydro-1H-inden-2-yl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 56858211

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 7190735) is 6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)cc1.
What is the InChIKey of 6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is LVZJGPXDIUNOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5S/c1-13-4-6-14(7-5-13)12-24-17-9-8-16-20-21-18(23(16)22-17)15-3-2-10-19-11-15/h2-11H,12H2,1H3.
What are the key properties of 6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 333.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 7190735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).