6-but-2-en-2-yl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

C16H16N4O — CID 123179709

IUPAC6-but-2-en-2-yl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC=C(C)c1ccc2nnc(-c3ccccc3OC)n2n1
InChIInChI=1S/C16H16N4O/c1-4-11(2)13-9-10-15-17-18-16(20(15)19-13)12-7-5-6-8-14(12)21-3/h4-10H,1-3H3
InChIKeyWQCCFKOUQCKAJA-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.22
Rot. Bonds3

About 6-but-2-en-2-yl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-but-2-en-2-yl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 123179709) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-but-2-en-2-yl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-but-2-en-2-yl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID123179709
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name6-but-2-en-2-yl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC=C(C)c1ccc2nnc(-c3ccccc3OC)n2n1
InChIInChI=1S/C16H16N4O/c1-4-11(2)13-9-10-15-17-18-16(20(15)19-13)12-7-5-6-8-14(12)21-3/h4-10H,1-3H3
InChIKeyWQCCFKOUQCKAJA-UHFFFAOYSA-N
XLogP3.22
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43327050
3-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061336
3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid
CID 94771493
2-(4-methoxyphenoxy)-N-[2-[[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]propanamide
CID 121059454
2-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine
CID 45496253
3-(2-methoxyphenyl)-6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 938376
2-(4-ethoxyphenoxy)-N-[2-[[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]propanamide
CID 121059455
3-(2-methoxyphenyl)-1,2,4-triazol-4-amine
CID 54284537
4-methoxy-3-[3-(2-methoxy-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline
CID 57413857
6-benzyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 1234092
3-(2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 932926
2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene
CID 119094700

Frequently Asked Questions

What is the IUPAC name of 6-but-2-en-2-yl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-but-2-en-2-yl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 123179709) is 6-but-2-en-2-yl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-but-2-en-2-yl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-but-2-en-2-yl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is CC=C(C)c1ccc2nnc(-c3ccccc3OC)n2n1.
What is the InChIKey of 6-but-2-en-2-yl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is WQCCFKOUQCKAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-4-11(2)13-9-10-15-17-18-16(20(15)19-13)12-7-5-6-8-14(12)21-3/h4-10H,1-3H3.
What are the key properties of 6-but-2-en-2-yl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-but-2-en-2-yl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 280.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-2-en-2-yl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 123179709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).