4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile

C19H14F3N5 — CID 133327751

IUPAC4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(N2CCn3c(nnc3-c3ccccc3)C2)c(C(F)(F)F)c1
InChIInChI=1S/C19H14F3N5/c20-19(21,22)15-10-13(11-23)6-7-16(15)26-8-9-27-17(12-26)24-25-18(27)14-4-2-1-3-5-14/h1-7,10H,8-9,12H2
InChIKeySXALZPBSCRTFIZ-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.86
Rot. Bonds2

About 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile

4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile (PubChem CID 133327751) has the molecular formula C19H14F3N5 and a molecular weight of 369.35 g/mol. Its IUPAC name is 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile
PubChem CID133327751
Molecular FormulaC19H14F3N5
Molecular Weight369.35 g/mol
Exact Mass369.12
IUPAC Name4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(N2CCn3c(nnc3-c3ccccc3)C2)c(C(F)(F)F)c1
InChIInChI=1S/C19H14F3N5/c20-19(21,22)15-10-13(11-23)6-7-16(15)26-8-9-27-17(12-26)24-25-18(27)14-4-2-1-3-5-14/h1-7,10H,8-9,12H2
InChIKeySXALZPBSCRTFIZ-UHFFFAOYSA-N
XLogP3.86
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-phenylbenzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile
CID 134169784
4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile
CID 133452532
3-chloro-2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)benzonitrile
CID 133327651
4-(3,3-difluoropyrrolidin-1-yl)-3-(trifluoromethyl)benzonitrile
CID 139600931
4-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 97318501
4-[4-(3-hydroxypropyl)piperazin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 133328092
8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline
CID 133368435
(3R)-1-[4-cyano-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 96506055
4-[4-(2-methoxyethyl)piperazin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 133328094
4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 133448637
4-(3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)benzonitrile
CID 122483713
4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile
CID 138675545

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile (CID 133327751) is 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile is N#Cc1ccc(N2CCn3c(nnc3-c3ccccc3)C2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile?
The InChIKey is SXALZPBSCRTFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5/c20-19(21,22)15-10-13(11-23)6-7-16(15)26-8-9-27-17(12-26)24-25-18(27)14-4-2-1-3-5-14/h1-7,10H,8-9,12H2.
What are the key properties of 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile?
4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile has a molecular weight of 369.35 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 133327751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).