4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine

C25H24N8O2 — CID 142744959

IUPAC4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCOc1ccc(CN2CC(Cc3nnc4ccc(-c5cnn(C)c5)nn34)Oc3cccnc32)cc1
InChIInChI=1S/C25H24N8O2/c1-31-15-18(13-27-31)21-9-10-23-28-29-24(33(23)30-21)12-20-16-32(25-22(35-20)4-3-11-26-25)14-17-5-7-19(34-2)8-6-17/h3-11,13,15,20H,12,14,16H2,1-2H3
InChIKeyBYJCCBCUAJFOPA-UHFFFAOYSA-N
MW468.52 g/mol
LogP2.94
Rot. Bonds6

About 4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine

4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 142744959) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID142744959
Molecular FormulaC25H24N8O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC Name4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCOc1ccc(CN2CC(Cc3nnc4ccc(-c5cnn(C)c5)nn34)Oc3cccnc32)cc1
InChIInChI=1S/C25H24N8O2/c1-31-15-18(13-27-31)21-9-10-23-28-29-24(33(23)30-21)12-20-16-32(25-22(35-20)4-3-11-26-25)14-17-5-7-19(34-2)8-6-17/h3-11,13,15,20H,12,14,16H2,1-2H3
InChIKeyBYJCCBCUAJFOPA-UHFFFAOYSA-N
XLogP2.94
TPSA95.49 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine with MolForge

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Related Compounds

4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 142744955
2-[4-[(4-methoxyphenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl]acetohydrazide
CID 142744939
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
[2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydropyrido[3,2-b][1,4]oxazin-2-yl] 2,2,2-trifluoroacetate
CID 142744938
1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol
CID 76618478
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N,N-dimethyl-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 110266742
6-(1-methylpyrazol-4-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;bis(2,2,2-trifluoroacetic acid)
CID 155832901
7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 24864821
3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine
CID 72855762
2-chloro-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridine
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4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole
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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 142744959) is 4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine is COc1ccc(CN2CC(Cc3nnc4ccc(-c5cnn(C)c5)nn34)Oc3cccnc32)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is BYJCCBCUAJFOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2/c1-31-15-18(13-27-31)21-9-10-23-28-29-24(33(23)30-21)12-20-16-32(25-22(35-20)4-3-11-26-25)14-17-5-7-19(34-2)8-6-17/h3-11,13,15,20H,12,14,16H2,1-2H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 468.52 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 142744959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).