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

C20H22F3N5O — CID 133332136

IUPAC5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(C2OCCCC2CNc2cc(C)nc3nc(C(F)(F)F)nn23)cc1
InChIInChI=1S/C20H22F3N5O/c1-12-5-7-14(8-6-12)17-15(4-3-9-29-17)11-24-16-10-13(2)25-19-26-18(20(21,22)23)27-28(16)19/h5-8,10,15,17,24H,3-4,9,11H2,1-2H3
InChIKeyMYRAQUZJJLTREA-UHFFFAOYSA-N
MW405.42 g/mol
LogP4.34
Rot. Bonds4

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

5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133332136) has the molecular formula C20H22F3N5O and a molecular weight of 405.42 g/mol. Its IUPAC name is 5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133332136
Molecular FormulaC20H22F3N5O
Molecular Weight405.42 g/mol
Exact Mass405.18
IUPAC Name5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(C2OCCCC2CNc2cc(C)nc3nc(C(F)(F)F)nn23)cc1
InChIInChI=1S/C20H22F3N5O/c1-12-5-7-14(8-6-12)17-15(4-3-9-29-17)11-24-16-10-13(2)25-19-26-18(20(21,22)23)27-28(16)19/h5-8,10,15,17,24H,3-4,9,11H2,1-2H3
InChIKeyMYRAQUZJJLTREA-UHFFFAOYSA-N
XLogP4.34
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine
CID 133332206
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
N-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 86972141
5-methyl-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133380513
trans-(1S,2S)-1-N,1-N-dimethyl-2-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,2-diamine
CID 95636460
6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine
CID 133332203
methyl 2-cyclopropyl-6-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridine-3-carboxylate
CID 133460161
N-(4-methylphenyl)-4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;hydrochloride
CID 162665410
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
1,3-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-4-nitropyrazol-5-amine
CID 133332154
N-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154837373

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133332136) is 5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(C2OCCCC2CNc2cc(C)nc3nc(C(F)(F)F)nn23)cc1.
What is the InChIKey of 5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MYRAQUZJJLTREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O/c1-12-5-7-14(8-6-12)17-15(4-3-9-29-17)11-24-16-10-13(2)25-19-26-18(20(21,22)23)27-28(16)19/h5-8,10,15,17,24H,3-4,9,11H2,1-2H3.
What are the key properties of 5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 405.42 g/mol, XLogP of 4.34, 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-(4-methylphenyl)oxan-3-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133332136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).