7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine

C27H24N4 — CID 4888810

IUPAC7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine
SMILESCCCCc1c(-c2ccccc2)nc2nc(-c3ccccc3)c(-c3ccccc3)nn12
InChIInChI=1S/C27H24N4/c1-2-3-19-23-24(20-13-7-4-8-14-20)28-27-29-25(21-15-9-5-10-16-21)26(30-31(23)27)22-17-11-6-12-18-22/h4-18H,2-3,19H2,1H3
InChIKeyIJFRWKKNWLCNGM-UHFFFAOYSA-N
MW404.52 g/mol
LogP6.47
Rot. Bonds6

About 7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine

7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine (PubChem CID 4888810) has the molecular formula C27H24N4 and a molecular weight of 404.52 g/mol. Its IUPAC name is 7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine
PubChem CID4888810
Molecular FormulaC27H24N4
Molecular Weight404.52 g/mol
Exact Mass404.20
IUPAC Name7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine
SMILESCCCCc1c(-c2ccccc2)nc2nc(-c3ccccc3)c(-c3ccccc3)nn12
InChIInChI=1S/C27H24N4/c1-2-3-19-23-24(20-13-7-4-8-14-20)28-27-29-25(21-15-9-5-10-16-21)26(30-31(23)27)22-17-11-6-12-18-22/h4-18H,2-3,19H2,1H3
InChIKeyIJFRWKKNWLCNGM-UHFFFAOYSA-N
XLogP6.47
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.52
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,7-triphenyl-6-(2-phenylphenyl)imidazo[1,2-b][1,2,4]triazine
CID 71430486
5-butyl-2-methyl-4-phenyl-1,3-oxazole
CID 58626593
5-butyl-2,4-diphenyl-1,3-thiazole
CID 58626562
2-butyl-4,5-diphenyl-1H-imidazole
CID 14710025
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide
CID 141076541
1-butyl-4-phenylbenzene;ethane
CID 143743409
5-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646715
5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646481
4-butyl-3-phenyl-1,2-oxazole
CID 20616768
3-butyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 143046958
8-bromo-2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine
CID 12916111

Frequently Asked Questions

What is the IUPAC name of 7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine (CID 4888810) is 7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine is CCCCc1c(-c2ccccc2)nc2nc(-c3ccccc3)c(-c3ccccc3)nn12.
What is the InChIKey of 7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine?
The InChIKey is IJFRWKKNWLCNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4/c1-2-3-19-23-24(20-13-7-4-8-14-20)28-27-29-25(21-15-9-5-10-16-21)26(30-31(23)27)22-17-11-6-12-18-22/h4-18H,2-3,19H2,1H3.
What are the key properties of 7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine?
7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine has a molecular weight of 404.52 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 4888810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).