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

C13H16F3N5O — CID 95580694

IUPACN-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C[C@@H]1CCCCO1)c1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C13H16F3N5O/c1-20(7-9-4-2-3-5-22-9)11-6-10(13(14,15)16)19-12-17-8-18-21(11)12/h6,8-9H,2-5,7H2,1H3/t9-/m0/s1
InChIKeySUQIHKPAUDOVQN-VIFPVBQESA-N
MW315.30 g/mol
LogP2.15
Rot. Bonds3

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

N-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95580694) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is N-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID95580694
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC NameN-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C[C@@H]1CCCCO1)c1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C13H16F3N5O/c1-20(7-9-4-2-3-5-22-9)11-6-10(13(14,15)16)19-12-17-8-18-21(11)12/h6,8-9H,2-5,7H2,1H3/t9-/m0/s1
InChIKeySUQIHKPAUDOVQN-VIFPVBQESA-N
XLogP2.15
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133398525
N-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133439168
N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133271752
2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567025
N,2,3,5-tetramethyl-N-[[(2S)-oxan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95869657
1-N-methyl-1-N-(oxan-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61431772
7-tert-butyl-N-(1-methylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 51584022
7-tert-butyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 46968805
6-fluoro-N-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 115416622
N-methyl-2,6-dinitro-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 133271735
5-chloro-6-methyl-7-(oxan-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075870
4-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)-3-(trifluoromethyl)aniline
CID 107081247

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 95580694) is N-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CN(C[C@@H]1CCCCO1)c1cc(C(F)(F)F)nc2ncnn12.
What is the InChIKey of N-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SUQIHKPAUDOVQN-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-20(7-9-4-2-3-5-22-9)11-6-10(13(14,15)16)19-12-17-8-18-21(11)12/h6,8-9H,2-5,7H2,1H3/t9-/m0/s1.
What are the key properties of N-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 315.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95580694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).