5-chloro-6-(2,6-difluoro-4-methylphenyl)-7-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C19H19ClF2N4 — CID 146739414

IUPAC5-chloro-6-(2,6-difluoro-4-methylphenyl)-7-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(F)c(-c2c(Cl)nc3ncnn3c2C2CCC(C)CC2)c(F)c1
InChIInChI=1S/C19H19ClF2N4/c1-10-3-5-12(6-4-10)17-16(15-13(21)7-11(2)8-14(15)22)18(20)25-19-23-9-24-26(17)19/h7-10,12H,3-6H2,1-2H3
InChIKeyRKDLPGFMUNQYEE-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.33
Rot. Bonds2

About 5-chloro-6-(2,6-difluoro-4-methylphenyl)-7-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-6-(2,6-difluoro-4-methylphenyl)-7-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 146739414) has the molecular formula C19H19ClF2N4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 5-chloro-6-(2,6-difluoro-4-methylphenyl)-7-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-6-(2,6-difluoro-4-methylphenyl)-7-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID146739414
Molecular FormulaC19H19ClF2N4
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name5-chloro-6-(2,6-difluoro-4-methylphenyl)-7-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(F)c(-c2c(Cl)nc3ncnn3c2C2CCC(C)CC2)c(F)c1
InChIInChI=1S/C19H19ClF2N4/c1-10-3-5-12(6-4-10)17-16(15-13(21)7-11(2)8-14(15)22)18(20)25-19-23-9-24-26(17)19/h7-10,12H,3-6H2,1-2H3
InChIKeyRKDLPGFMUNQYEE-UHFFFAOYSA-N
XLogP5.33
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-(2,6-difluoro-4-methylphenyl)-7-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine 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

5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-7-(3-fluorocyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 19361664
3-[4-(5-chloro-7-cycloheptyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3,5-difluorophenoxy]propan-1-ol
CID 11476094
3-[4-(5-chloro-7-cycloheptyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3,5-difluorophenoxy]propyl-methylcarbamic acid
CID 87677622
5-chloro-N-(2-deuterio-3-methylbutan-2-yl)-6-(2,6-difluoro-4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 165025635
5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 162646186
7-(8-azabicyclo[3.2.1]octan-8-yl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166799903
5,7-dichloro-6-(2,6-difluoro-4-iodophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166514871
5-chloro-6-(2,5-difluoro-4-methylphenyl)-7-(3-methylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 87861539
N-tert-butyl-5-chloro-N-cyclohexyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 57247384
6-(2-chloro-6-fluorophenyl)-7-(4-methylcyclohexyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 142647415
7-(bromomethyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 87779510
5-chloro-7-(4-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate
CID 11285564

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,6-difluoro-4-methylphenyl)-7-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-6-(2,6-difluoro-4-methylphenyl)-7-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 146739414) is 5-chloro-6-(2,6-difluoro-4-methylphenyl)-7-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-6-(2,6-difluoro-4-methylphenyl)-7-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-6-(2,6-difluoro-4-methylphenyl)-7-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(F)c(-c2c(Cl)nc3ncnn3c2C2CCC(C)CC2)c(F)c1.
What is the InChIKey of 5-chloro-6-(2,6-difluoro-4-methylphenyl)-7-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RKDLPGFMUNQYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N4/c1-10-3-5-12(6-4-10)17-16(15-13(21)7-11(2)8-14(15)22)18(20)25-19-23-9-24-26(17)19/h7-10,12H,3-6H2,1-2H3.
What are the key properties of 5-chloro-6-(2,6-difluoro-4-methylphenyl)-7-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-6-(2,6-difluoro-4-methylphenyl)-7-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 376.84 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,6-difluoro-4-methylphenyl)-7-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 146739414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).