2-phenyl-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine

C15H14N4 — CID 619518

IUPAC2-phenyl-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
SMILESc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1
InChIInChI=1S/C15H14N4/c1-2-6-11(7-3-1)14-10-19-15(17-14)16-12-8-4-5-9-13(12)18-19/h1-3,6-7,10H,4-5,8-9H2
InChIKeyMELKBKVKSUEZMJ-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.67
Rot. Bonds1

About 2-phenyl-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine

2-phenyl-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine (PubChem CID 619518) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-phenyl-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine.

Molecular Properties

Compound Name2-phenyl-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
PubChem CID619518
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-phenyl-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
SMILESc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1
InChIInChI=1S/C15H14N4/c1-2-6-11(7-3-1)14-10-19-15(17-14)16-12-8-4-5-9-13(12)18-19/h1-3,6-7,10H,4-5,8-9H2
InChIKeyMELKBKVKSUEZMJ-UHFFFAOYSA-N
XLogP2.67
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
The IUPAC name of 2-phenyl-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine (CID 619518) is 2-phenyl-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine.
What is the SMILES notation for 2-phenyl-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
The canonical SMILES for 2-phenyl-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine is c1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1.
What is the InChIKey of 2-phenyl-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
The InChIKey is MELKBKVKSUEZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-6-11(7-3-1)14-10-19-15(17-14)16-12-8-4-5-9-13(12)18-19/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 2-phenyl-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
2-phenyl-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine has a molecular weight of 250.31 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine is sourced from PubChem (CID 619518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).