6,8-dimethyl-7-(3-phenylprop-2-enyl)-[1,2,4]triazolo[4,3-b]pyridazine

C16H16N4 — CID 4314110

IUPAC6,8-dimethyl-7-(3-phenylprop-2-enyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nn2cnnc2c(C)c1CC=Cc1ccccc1
InChIInChI=1S/C16H16N4/c1-12-15(10-6-9-14-7-4-3-5-8-14)13(2)19-20-11-17-18-16(12)20/h3-9,11H,10H2,1-2H3
InChIKeyGYLZHQFHVTWNLJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.00
Rot. Bonds3

About 6,8-dimethyl-7-(3-phenylprop-2-enyl)-[1,2,4]triazolo[4,3-b]pyridazine

6,8-dimethyl-7-(3-phenylprop-2-enyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 4314110) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6,8-dimethyl-7-(3-phenylprop-2-enyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6,8-dimethyl-7-(3-phenylprop-2-enyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID4314110
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name6,8-dimethyl-7-(3-phenylprop-2-enyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nn2cnnc2c(C)c1CC=Cc1ccccc1
InChIInChI=1S/C16H16N4/c1-12-15(10-6-9-14-7-4-3-5-8-14)13(2)19-20-11-17-18-16(12)20/h3-9,11H,10H2,1-2H3
InChIKeyGYLZHQFHVTWNLJ-UHFFFAOYSA-N
XLogP3.00
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-methyl-10-(3-phenylprop-2-enyl)anthracene
CID 156901579
5,7-dimethyl-6-(3-phenylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 1477915
[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol
CID 43647302
2-[3,5-dimethyl-1-(3-phenylprop-2-enyl)pyrazol-4-yl]acetic acid
CID 61294436
3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol
CID 59639128
2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole
CID 68949565
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol
CID 162361453
8-hydroxy-N,N,2-trimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 69434630
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
benzene;but-1-enylbenzene
CID 157481332

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-7-(3-phenylprop-2-enyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6,8-dimethyl-7-(3-phenylprop-2-enyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 4314110) is 6,8-dimethyl-7-(3-phenylprop-2-enyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6,8-dimethyl-7-(3-phenylprop-2-enyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6,8-dimethyl-7-(3-phenylprop-2-enyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nn2cnnc2c(C)c1CC=Cc1ccccc1.
What is the InChIKey of 6,8-dimethyl-7-(3-phenylprop-2-enyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is GYLZHQFHVTWNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-12-15(10-6-9-14-7-4-3-5-8-14)13(2)19-20-11-17-18-16(12)20/h3-9,11H,10H2,1-2H3.
What are the key properties of 6,8-dimethyl-7-(3-phenylprop-2-enyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6,8-dimethyl-7-(3-phenylprop-2-enyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 264.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-7-(3-phenylprop-2-enyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 4314110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).