2-phenyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole

C13H14N4 — CID 22114379

IUPAC2-phenyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole
SMILESCC(C)c1cnc2nc(-c3ccccc3)[nH]n12
InChIInChI=1S/C13H14N4/c1-9(2)11-8-14-13-15-12(16-17(11)13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,15,16)
InChIKeyLEXLXIMUKKYNHV-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.85
Rot. Bonds2

About 2-phenyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole

2-phenyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole (PubChem CID 22114379) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-phenyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name2-phenyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole
PubChem CID22114379
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2-phenyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole
SMILESCC(C)c1cnc2nc(-c3ccccc3)[nH]n12
InChIInChI=1S/C13H14N4/c1-9(2)11-8-14-13-15-12(16-17(11)13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,15,16)
InChIKeyLEXLXIMUKKYNHV-UHFFFAOYSA-N
XLogP2.85
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole?
The IUPAC name of 2-phenyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole (CID 22114379) is 2-phenyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 2-phenyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole?
The canonical SMILES for 2-phenyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole is CC(C)c1cnc2nc(-c3ccccc3)[nH]n12.
What is the InChIKey of 2-phenyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole?
The InChIKey is LEXLXIMUKKYNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-9(2)11-8-14-13-15-12(16-17(11)13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,15,16).
What are the key properties of 2-phenyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole?
2-phenyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole has a molecular weight of 226.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 22114379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).