7-(2-chlorophenyl)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one

C15H12ClF3N4O — CID 137226377

IUPAC7-(2-chlorophenyl)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESC[C@H](Cc1nn2c(-c3ccccc3Cl)ncc2c(=O)[nH]1)C(F)(F)F
InChIInChI=1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-14(24)11-7-20-13(23(11)22-12)9-4-2-3-5-10(9)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)/t8-/m1/s1
InChIKeyQGPNQDBSEBTSLY-MRVPVSSYSA-N
MW356.74 g/mol
LogP3.48
Rot. Bonds3

About 7-(2-chlorophenyl)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one

7-(2-chlorophenyl)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 137226377) has the molecular formula C15H12ClF3N4O and a molecular weight of 356.74 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-(2-chlorophenyl)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID137226377
Molecular FormulaC15H12ClF3N4O
Molecular Weight356.74 g/mol
Exact Mass356.07
IUPAC Name7-(2-chlorophenyl)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESC[C@H](Cc1nn2c(-c3ccccc3Cl)ncc2c(=O)[nH]1)C(F)(F)F
InChIInChI=1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-14(24)11-7-20-13(23(11)22-12)9-4-2-3-5-10(9)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)/t8-/m1/s1
InChIKeyQGPNQDBSEBTSLY-MRVPVSSYSA-N
XLogP3.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-(2-chlorophenyl)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 137226377) is 7-(2-chlorophenyl)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-(2-chlorophenyl)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-(2-chlorophenyl)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one is C[C@H](Cc1nn2c(-c3ccccc3Cl)ncc2c(=O)[nH]1)C(F)(F)F.
What is the InChIKey of 7-(2-chlorophenyl)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is QGPNQDBSEBTSLY-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-14(24)11-7-20-13(23(11)22-12)9-4-2-3-5-10(9)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)/t8-/m1/s1.
What are the key properties of 7-(2-chlorophenyl)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
7-(2-chlorophenyl)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 356.74 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137226377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).