2-(4-fluorophenyl)-2-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetonitrile

C17H16FN7S — CID 155711690

IUPAC2-(4-fluorophenyl)-2-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetonitrile
SMILESCc1nsc(-c2nnc3n2CCN(C(C#N)c2ccc(F)cc2)[C@@H]3C)n1
InChIInChI=1S/C17H16FN7S/c1-10-15-21-22-16(17-20-11(2)23-26-17)25(15)8-7-24(10)14(9-19)12-3-5-13(18)6-4-12/h3-6,10,14H,7-8H2,1-2H3/t10-,14?/m1/s1
InChIKeyDTYSJAOIJIRRFR-IAPIXIRKSA-N
MW369.43 g/mol
LogP2.89
Rot. Bonds3

About 2-(4-fluorophenyl)-2-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetonitrile

2-(4-fluorophenyl)-2-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetonitrile (PubChem CID 155711690) has the molecular formula C17H16FN7S and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetonitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetonitrile
PubChem CID155711690
Molecular FormulaC17H16FN7S
Molecular Weight369.43 g/mol
Exact Mass369.12
IUPAC Name2-(4-fluorophenyl)-2-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetonitrile
SMILESCc1nsc(-c2nnc3n2CCN(C(C#N)c2ccc(F)cc2)[C@@H]3C)n1
InChIInChI=1S/C17H16FN7S/c1-10-15-21-22-16(17-20-11(2)23-26-17)25(15)8-7-24(10)14(9-19)12-3-5-13(18)6-4-12/h3-6,10,14H,7-8H2,1-2H3/t10-,14?/m1/s1
InChIKeyDTYSJAOIJIRRFR-IAPIXIRKSA-N
XLogP2.89
TPSA83.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-fluorophenyl)-2-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetonitrile?
The IUPAC name of 2-(4-fluorophenyl)-2-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetonitrile (CID 155711690) is 2-(4-fluorophenyl)-2-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetonitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetonitrile?
The canonical SMILES for 2-(4-fluorophenyl)-2-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetonitrile is Cc1nsc(-c2nnc3n2CCN(C(C#N)c2ccc(F)cc2)[C@@H]3C)n1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetonitrile?
The InChIKey is DTYSJAOIJIRRFR-IAPIXIRKSA-N. The full InChI is InChI=1S/C17H16FN7S/c1-10-15-21-22-16(17-20-11(2)23-26-17)25(15)8-7-24(10)14(9-19)12-3-5-13(18)6-4-12/h3-6,10,14H,7-8H2,1-2H3/t10-,14?/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-2-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetonitrile?
2-(4-fluorophenyl)-2-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetonitrile has a molecular weight of 369.43 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetonitrile is sourced from PubChem (CID 155711690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).