5-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H19F3N6 — CID 133277205

IUPAC5-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCN2c3ccccc3CC2C)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C18H19F3N6/c1-11-9-15(27-17(23-11)24-16(25-27)18(19,20)21)22-7-8-26-12(2)10-13-5-3-4-6-14(13)26/h3-6,9,12,22H,7-8,10H2,1-2H3
InChIKeyKOKJIKAKYKUBNS-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.31
Rot. Bonds4

About 5-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133277205) has the molecular formula C18H19F3N6 and a molecular weight of 376.39 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133277205
Molecular FormulaC18H19F3N6
Molecular Weight376.39 g/mol
Exact Mass376.16
IUPAC Name5-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCN2c3ccccc3CC2C)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C18H19F3N6/c1-11-9-15(27-17(23-11)24-16(25-27)18(19,20)21)22-7-8-26-12(2)10-13-5-3-4-6-14(13)26/h3-6,9,12,22H,7-8,10H2,1-2H3
InChIKeyKOKJIKAKYKUBNS-UHFFFAOYSA-N
XLogP3.31
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 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-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133439798
5-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 127265997
(2S)-2-N-benzyl-3,3,3-trifluoro-1-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propane-1,2-diamine
CID 124721244
N-[[3-(dimethylamino)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133279688
5-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133435603
5-methyl-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 97340074
5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133287054
N-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154837373
N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 4909257
5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 133453467
N-(cyclopropylmethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 60866414
2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71079216

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133277205) is 5-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCN2c3ccccc3CC2C)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KOKJIKAKYKUBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6/c1-11-9-15(27-17(23-11)24-16(25-27)18(19,20)21)22-7-8-26-12(2)10-13-5-3-4-6-14(13)26/h3-6,9,12,22H,7-8,10H2,1-2H3.
What are the key properties of 5-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 376.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133277205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).