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

C15H13ClN4 — CID 625142

IUPAC2-(4-chlorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
SMILESClc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1
InChIInChI=1S/C15H13ClN4/c16-11-7-5-10(6-8-11)14-9-20-15(18-14)17-12-3-1-2-4-13(12)19-20/h5-9H,1-4H2
InChIKeyKCJMHBCZSPFWRU-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.32
Rot. Bonds1

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

2-(4-chlorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine (PubChem CID 625142) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
PubChem CID625142
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name2-(4-chlorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
SMILESClc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1
InChIInChI=1S/C15H13ClN4/c16-11-7-5-10(6-8-11)14-9-20-15(18-14)17-12-3-1-2-4-13(12)19-20/h5-9H,1-4H2
InChIKeyKCJMHBCZSPFWRU-UHFFFAOYSA-N
XLogP3.32
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline
CID 68866
6-(4-Fluorophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 618001
6-(4-Ethylphenyl)-2-phenylimidazo[1,2-b][1,2,4]triazine
CID 627189
7-(4-Chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 824033
6-(4-Chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1474423
2,3-Dimethyl-6-phenylimidazo[1,2-b][1,2,4]triazine
CID 614255
2,6-Diphenylimidazo[1,2-b][1,2,4]triazine
CID 623378
7-(4-Chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 735871
7-Phenyltetrazolo[1,5-b][1,2,4]triazine
CID 319734
2,3-Dimethyl-6-(4-methylphenyl)imidazo[1,2-b][1,2,4]triazine
CID 617210
2-Phenyl-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
CID 619518
6-(4-Chlorophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 621011

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
The IUPAC name of 2-(4-chlorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine (CID 625142) is 2-(4-chlorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine.
What is the SMILES notation for 2-(4-chlorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
The canonical SMILES for 2-(4-chlorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine is Clc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
The InChIKey is KCJMHBCZSPFWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c16-11-7-5-10(6-8-11)14-9-20-15(18-14)17-12-3-1-2-4-13(12)19-20/h5-9H,1-4H2.
What are the key properties of 2-(4-chlorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
2-(4-chlorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine has a molecular weight of 284.75 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine is sourced from PubChem (CID 625142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).