2-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C20H17FN6O — CID 71735477

IUPAC2-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCc1ccc(-c2ccc3nnc(CC4CNc5ncccc5O4)n3n2)cc1F
InChIInChI=1S/C20H17FN6O/c1-12-4-5-13(9-15(12)21)16-6-7-18-24-25-19(27(18)26-16)10-14-11-23-20-17(28-14)3-2-8-22-20/h2-9,14H,10-11H2,1H3,(H,22,23)
InChIKeyKSWDWNZFIIRVGH-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.05
Rot. Bonds3

About 2-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

2-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 71735477) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 2-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name2-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID71735477
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Name2-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCc1ccc(-c2ccc3nnc(CC4CNc5ncccc5O4)n3n2)cc1F
InChIInChI=1S/C20H17FN6O/c1-12-4-5-13(9-15(12)21)16-6-7-18-24-25-19(27(18)26-16)10-14-11-23-20-17(28-14)3-2-8-22-20/h2-9,14H,10-11H2,1H3,(H,22,23)
InChIKeyKSWDWNZFIIRVGH-UHFFFAOYSA-N
XLogP3.05
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Taletrectinib
CID 72202474
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
1-(5-Butoxypyridin-3-Yl)-4-Methyl-8-(Morpholin-4-Ylmethyl)[1,2,4]triazolo[4,3-A]quinoxaline
CID 71153408
3-Phenyl-6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazine
CID 9798829
6-Phenyl-9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 9821389
9-[(3-Ethoxy-2-pyridinyl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11166241
9-[(3-Methyl-2-pyridinyl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11176957
9-[[3-(Cyclopropylmethoxy)-2-pyridinyl]methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11213176
6-(2-Fluorophenyl)-9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11452374
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611179
8-Methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
CID 11176067
10-Methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
CID 11314613

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 2-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 71735477) is 2-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 2-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 2-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is Cc1ccc(-c2ccc3nnc(CC4CNc5ncccc5O4)n3n2)cc1F.
What is the InChIKey of 2-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is KSWDWNZFIIRVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-12-4-5-13(9-15(12)21)16-6-7-18-24-25-19(27(18)26-16)10-14-11-23-20-17(28-14)3-2-8-22-20/h2-9,14H,10-11H2,1H3,(H,22,23).
What are the key properties of 2-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
2-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 376.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 71735477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).