2-(6-methoxy-1H-indol-3-yl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine

C18H17N5O — CID 46981354

IUPAC2-(6-methoxy-1H-indol-3-yl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
SMILESCOc1ccc2c(-c3cn4nc5c(nc4n3)CCCC5)c[nH]c2c1
InChIInChI=1S/C18H17N5O/c1-24-11-6-7-12-13(9-19-16(12)8-11)17-10-23-18(21-17)20-14-4-2-3-5-15(14)22-23/h6-10,19H,2-5H2,1H3
InChIKeyLHBCDFGFZOEDMG-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.16
Rot. Bonds2

About 2-(6-methoxy-1H-indol-3-yl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine

2-(6-methoxy-1H-indol-3-yl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine (PubChem CID 46981354) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-(6-methoxy-1H-indol-3-yl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine.

Molecular Properties

Compound Name2-(6-methoxy-1H-indol-3-yl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
PubChem CID46981354
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-(6-methoxy-1H-indol-3-yl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
SMILESCOc1ccc2c(-c3cn4nc5c(nc4n3)CCCC5)c[nH]c2c1
InChIInChI=1S/C18H17N5O/c1-24-11-6-7-12-13(9-19-16(12)8-11)17-10-23-18(21-17)20-14-4-2-3-5-15(14)22-23/h6-10,19H,2-5H2,1H3
InChIKeyLHBCDFGFZOEDMG-UHFFFAOYSA-N
XLogP3.16
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1H-indol-3-yl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
The IUPAC name of 2-(6-methoxy-1H-indol-3-yl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine (CID 46981354) is 2-(6-methoxy-1H-indol-3-yl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine.
What is the SMILES notation for 2-(6-methoxy-1H-indol-3-yl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
The canonical SMILES for 2-(6-methoxy-1H-indol-3-yl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine is COc1ccc2c(-c3cn4nc5c(nc4n3)CCCC5)c[nH]c2c1.
What is the InChIKey of 2-(6-methoxy-1H-indol-3-yl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
The InChIKey is LHBCDFGFZOEDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-24-11-6-7-12-13(9-19-16(12)8-11)17-10-23-18(21-17)20-14-4-2-3-5-15(14)22-23/h6-10,19H,2-5H2,1H3.
What are the key properties of 2-(6-methoxy-1H-indol-3-yl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
2-(6-methoxy-1H-indol-3-yl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine has a molecular weight of 319.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1H-indol-3-yl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine is sourced from PubChem (CID 46981354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).