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

C17H20F3N7O — CID 129006907

IUPACN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1Nc1cc(C)nc2nc(C(F)(F)F)nn12
InChIInChI=1S/C17H20F3N7O/c1-3-26-7-6-21-14(26)13-11(5-4-8-28-13)23-12-9-10(2)22-16-24-15(17(18,19)20)25-27(12)16/h6-7,9,11,13,23H,3-5,8H2,1-2H3/t11-,13-/m0/s1
InChIKeyYVSALHRWLINAQD-AAEUAGOBSA-N
MW395.39 g/mol
LogP3.00
Rot. Bonds4

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

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 129006907) has the molecular formula C17H20F3N7O and a molecular weight of 395.39 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID129006907
Molecular FormulaC17H20F3N7O
Molecular Weight395.39 g/mol
Exact Mass395.17
IUPAC NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1Nc1cc(C)nc2nc(C(F)(F)F)nn12
InChIInChI=1S/C17H20F3N7O/c1-3-26-7-6-21-14(26)13-11(5-4-8-28-13)23-12-9-10(2)22-16-24-15(17(18,19)20)25-27(12)16/h6-7,9,11,13,23H,3-5,8H2,1-2H3/t11-,13-/m0/s1
InChIKeyYVSALHRWLINAQD-AAEUAGOBSA-N
XLogP3.00
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-methyl-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

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 129006907) is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1cc(C)nc2nc(C(F)(F)F)nn12.
What is the InChIKey of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YVSALHRWLINAQD-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H20F3N7O/c1-3-26-7-6-21-14(26)13-11(5-4-8-28-13)23-12-9-10(2)22-16-24-15(17(18,19)20)25-27(12)16/h6-7,9,11,13,23H,3-5,8H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 395.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 129006907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).