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

C22H19N7O — CID 142744972

IUPAC2-[[6-(1-methylindol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCn1cc(-c2ccc3nnc(CC4CNc5ncccc5O4)n3n2)c2ccccc21
InChIInChI=1S/C22H19N7O/c1-28-13-16(15-5-2-3-6-18(15)28)17-8-9-20-25-26-21(29(20)27-17)11-14-12-24-22-19(30-14)7-4-10-23-22/h2-10,13-14H,11-12H2,1H3,(H,23,24)
InChIKeyPIEHPJOFYZVIIZ-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.09
Rot. Bonds3

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

2-[[6-(1-methylindol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 142744972) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[[6-(1-methylindol-3-yl)-[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-(1-methylindol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID142744972
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name2-[[6-(1-methylindol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCn1cc(-c2ccc3nnc(CC4CNc5ncccc5O4)n3n2)c2ccccc21
InChIInChI=1S/C22H19N7O/c1-28-13-16(15-5-2-3-6-18(15)28)17-8-9-20-25-26-21(29(20)27-17)11-14-12-24-22-19(30-14)7-4-10-23-22/h2-10,13-14H,11-12H2,1H3,(H,23,24)
InChIKeyPIEHPJOFYZVIIZ-UHFFFAOYSA-N
XLogP3.09
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(1-methylindol-3-yl)-[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-(1-methylindol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 142744972) is 2-[[6-(1-methylindol-3-yl)-[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-(1-methylindol-3-yl)-[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-(1-methylindol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is Cn1cc(-c2ccc3nnc(CC4CNc5ncccc5O4)n3n2)c2ccccc21.
What is the InChIKey of 2-[[6-(1-methylindol-3-yl)-[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 PIEHPJOFYZVIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-28-13-16(15-5-2-3-6-18(15)28)17-8-9-20-25-26-21(29(20)27-17)11-14-12-24-22-19(30-14)7-4-10-23-22/h2-10,13-14H,11-12H2,1H3,(H,23,24).
What are the key properties of 2-[[6-(1-methylindol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
2-[[6-(1-methylindol-3-yl)-[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 397.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(1-methylindol-3-yl)-[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 142744972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).