6-[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine

C17H11F3N6 — CID 137158465

IUPAC6-[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1cc(F)c(-c2nc3n(c2-c2ccc4ncnn4c2)CCN3)cc1F
InChIInChI=1S/C17H11F3N6/c18-11-6-13(20)12(19)5-10(11)15-16(25-4-3-21-17(25)24-15)9-1-2-14-22-8-23-26(14)7-9/h1-2,5-8H,3-4H2,(H,21,24)
InChIKeyWDHKDKLXZQJHSN-UHFFFAOYSA-N
MW356.31 g/mol
LogP3.10
Rot. Bonds2

About 6-[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine

6-[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 137158465) has the molecular formula C17H11F3N6 and a molecular weight of 356.31 g/mol. Its IUPAC name is 6-[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID137158465
Molecular FormulaC17H11F3N6
Molecular Weight356.31 g/mol
Exact Mass356.10
IUPAC Name6-[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1cc(F)c(-c2nc3n(c2-c2ccc4ncnn4c2)CCN3)cc1F
InChIInChI=1S/C17H11F3N6/c18-11-6-13(20)12(19)5-10(11)15-16(25-4-3-21-17(25)24-15)9-1-2-14-22-8-23-26(14)7-9/h1-2,5-8H,3-4H2,(H,21,24)
InChIKeyWDHKDKLXZQJHSN-UHFFFAOYSA-N
XLogP3.10
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 137158465) is 6-[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine is Fc1cc(F)c(-c2nc3n(c2-c2ccc4ncnn4c2)CCN3)cc1F.
What is the InChIKey of 6-[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is WDHKDKLXZQJHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6/c18-11-6-13(20)12(19)5-10(11)15-16(25-4-3-21-17(25)24-15)9-1-2-14-22-8-23-26(14)7-9/h1-2,5-8H,3-4H2,(H,21,24).
What are the key properties of 6-[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine?
6-[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 356.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 137158465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).