2-(3-methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine

C16H16N4O — CID 624478

IUPAC2-(3-methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
SMILESCOc1cccc(-c2cn3nc4c(nc3n2)CCCC4)c1
InChIInChI=1S/C16H16N4O/c1-21-12-6-4-5-11(9-12)15-10-20-16(18-15)17-13-7-2-3-8-14(13)19-20/h4-6,9-10H,2-3,7-8H2,1H3
InChIKeyZOJSZSDGBQWSAP-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.68
Rot. Bonds2

About 2-(3-methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine

2-(3-methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine (PubChem CID 624478) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
PubChem CID624478
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-(3-methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
SMILESCOc1cccc(-c2cn3nc4c(nc3n2)CCCC4)c1
InChIInChI=1S/C16H16N4O/c1-21-12-6-4-5-11(9-12)15-10-20-16(18-15)17-13-7-2-3-8-14(13)19-20/h4-6,9-10H,2-3,7-8H2,1H3
InChIKeyZOJSZSDGBQWSAP-UHFFFAOYSA-N
XLogP2.68
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
The IUPAC name of 2-(3-methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine (CID 624478) is 2-(3-methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine.
What is the SMILES notation for 2-(3-methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
The canonical SMILES for 2-(3-methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine is COc1cccc(-c2cn3nc4c(nc3n2)CCCC4)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
The InChIKey is ZOJSZSDGBQWSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-21-12-6-4-5-11(9-12)15-10-20-16(18-15)17-13-7-2-3-8-14(13)19-20/h4-6,9-10H,2-3,7-8H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
2-(3-methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine has a molecular weight of 280.33 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine is sourced from PubChem (CID 624478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).