(7R)-2-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C17H17ClF3N5O2 — CID 135884766

IUPAC(7R)-2-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCCCc1nc2n(n1)[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N2
InChIInChI=1S/C17H17ClF3N5O2/c1-2-3-4-13-23-16-24-14(27)8-12(26(16)25-13)15(28)22-9-5-6-11(18)10(7-9)17(19,20)21/h5-7,12H,2-4,8H2,1H3,(H,22,28)(H,23,24,25,27)/t12-/m1/s1
InChIKeyOYJVTBWDTUGSRS-GFCCVEGCSA-N
MW415.80 g/mol
LogP3.81
Rot. Bonds5

About (7R)-2-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

(7R)-2-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135884766) has the molecular formula C17H17ClF3N5O2 and a molecular weight of 415.80 g/mol. Its IUPAC name is (7R)-2-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7R)-2-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135884766
Molecular FormulaC17H17ClF3N5O2
Molecular Weight415.80 g/mol
Exact Mass415.10
IUPAC Name(7R)-2-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCCCc1nc2n(n1)[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N2
InChIInChI=1S/C17H17ClF3N5O2/c1-2-3-4-13-23-16-24-14(27)8-12(26(16)25-13)15(28)22-9-5-6-11(18)10(7-9)17(19,20)21/h5-7,12H,2-4,8H2,1H3,(H,22,28)(H,23,24,25,27)/t12-/m1/s1
InChIKeyOYJVTBWDTUGSRS-GFCCVEGCSA-N
XLogP3.81
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.80
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (7R)-2-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide 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

(7S)-N-(4-acetamidophenyl)-5-oxo-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135958099
N-(3-chloro-4-methylphenyl)-5-oxo-2-(trifluoromethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4972409
(7R)-N-(4-ethylphenyl)-5-oxo-2-(trifluoromethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 137095726
N-(4-fluorophenyl)-5-oxo-2-(trifluoromethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4906492
(7S)-N-(4-methylphenyl)-2-(2-methylpropyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135881601
(7S)-N-(3,4-dimethylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135714329
2-(4-chlorophenyl)-N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4909447
(7R)-2-(2-methylpropyl)-5-oxo-N-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135881600
(7R)-N-(4-chlorophenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135881630
N-(4-ethylphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4975049
N-(3-chloro-4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 3160981
2-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4910489

Frequently Asked Questions

What is the IUPAC name of (7R)-2-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of (7R)-2-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 135884766) is (7R)-2-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for (7R)-2-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for (7R)-2-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is CCCCc1nc2n(n1)[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N2.
What is the InChIKey of (7R)-2-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is OYJVTBWDTUGSRS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17ClF3N5O2/c1-2-3-4-13-23-16-24-14(27)8-12(26(16)25-13)15(28)22-9-5-6-11(18)10(7-9)17(19,20)21/h5-7,12H,2-4,8H2,1H3,(H,22,28)(H,23,24,25,27)/t12-/m1/s1.
What are the key properties of (7R)-2-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
(7R)-2-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 415.80 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135884766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).