6-ethyl-8-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C19H24N6 — CID 176503856

IUPAC6-ethyl-8-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1cc(N2CCCN(c3ccccc3C)CC2)c2nncn2n1
InChIInChI=1S/C19H24N6/c1-3-16-13-18(19-21-20-14-25(19)22-16)24-10-6-9-23(11-12-24)17-8-5-4-7-15(17)2/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3
InChIKeyXPJKNWDWXIFWHW-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.71
Rot. Bonds3

About 6-ethyl-8-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-ethyl-8-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 176503856) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-ethyl-8-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-ethyl-8-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID176503856
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name6-ethyl-8-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1cc(N2CCCN(c3ccccc3C)CC2)c2nncn2n1
InChIInChI=1S/C19H24N6/c1-3-16-13-18(19-21-20-14-25(19)22-16)24-10-6-9-23(11-12-24)17-8-5-4-7-15(17)2/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3
InChIKeyXPJKNWDWXIFWHW-UHFFFAOYSA-N
XLogP2.71
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-8-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 176504605
6-ethyl-8-(4-phenylmethoxypiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 176503035
[1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]-thiophen-2-ylmethanol
CID 176502386
1-(2-methylphenyl)azetidine;hydrochloride
CID 176582976
8-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 176502925
8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 39861282
[1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 176501282
6-phenyl-8-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 176503495
8-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 176506081
6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176506339
N-(2,3-dimethylphenyl)-2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]acetamide
CID 176502712
1-ethylsulfonyl-4-(2-methylphenyl)piperazine
CID 6468889

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-8-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-ethyl-8-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 176503856) is 6-ethyl-8-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-ethyl-8-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-ethyl-8-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is CCc1cc(N2CCCN(c3ccccc3C)CC2)c2nncn2n1.
What is the InChIKey of 6-ethyl-8-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is XPJKNWDWXIFWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-3-16-13-18(19-21-20-14-25(19)22-16)24-10-6-9-23(11-12-24)17-8-5-4-7-15(17)2/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3.
What are the key properties of 6-ethyl-8-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-ethyl-8-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 336.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-8-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 176503856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).