(3S)-3-(1H-1,2,4-triazol-5-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]morpholine-4-carboxamide

C13H13F3N6O2 — CID 124882155

IUPAC(3S)-3-(1H-1,2,4-triazol-5-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)n1)N1CCOC[C@@H]1c1ncn[nH]1
InChIInChI=1S/C13H13F3N6O2/c14-13(15,16)9-2-1-3-10(19-9)20-12(23)22-4-5-24-6-8(22)11-17-7-18-21-11/h1-3,7-8H,4-6H2,(H,17,18,21)(H,19,20,23)/t8-/m1/s1
InChIKeyDTSYHRSYXVMXRB-MRVPVSSYSA-N
MW342.28 g/mol
LogP1.82
Rot. Bonds2

About (3S)-3-(1H-1,2,4-triazol-5-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]morpholine-4-carboxamide

(3S)-3-(1H-1,2,4-triazol-5-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]morpholine-4-carboxamide (PubChem CID 124882155) has the molecular formula C13H13F3N6O2 and a molecular weight of 342.28 g/mol. Its IUPAC name is (3S)-3-(1H-1,2,4-triazol-5-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-(1H-1,2,4-triazol-5-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]morpholine-4-carboxamide
PubChem CID124882155
Molecular FormulaC13H13F3N6O2
Molecular Weight342.28 g/mol
Exact Mass342.11
IUPAC Name(3S)-3-(1H-1,2,4-triazol-5-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)n1)N1CCOC[C@@H]1c1ncn[nH]1
InChIInChI=1S/C13H13F3N6O2/c14-13(15,16)9-2-1-3-10(19-9)20-12(23)22-4-5-24-6-8(22)11-17-7-18-21-11/h1-3,7-8H,4-6H2,(H,17,18,21)(H,19,20,23)/t8-/m1/s1
InChIKeyDTSYHRSYXVMXRB-MRVPVSSYSA-N
XLogP1.82
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-3-(1H-1,2,4-triazol-5-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]morpholine-4-carboxamide 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 (3S)-3-(1H-1,2,4-triazol-5-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of (3S)-3-(1H-1,2,4-triazol-5-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]morpholine-4-carboxamide (CID 124882155) is (3S)-3-(1H-1,2,4-triazol-5-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-(1H-1,2,4-triazol-5-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-(1H-1,2,4-triazol-5-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]morpholine-4-carboxamide is O=C(Nc1cccc(C(F)(F)F)n1)N1CCOC[C@@H]1c1ncn[nH]1.
What is the InChIKey of (3S)-3-(1H-1,2,4-triazol-5-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]morpholine-4-carboxamide?
The InChIKey is DTSYHRSYXVMXRB-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13F3N6O2/c14-13(15,16)9-2-1-3-10(19-9)20-12(23)22-4-5-24-6-8(22)11-17-7-18-21-11/h1-3,7-8H,4-6H2,(H,17,18,21)(H,19,20,23)/t8-/m1/s1.
What are the key properties of (3S)-3-(1H-1,2,4-triazol-5-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]morpholine-4-carboxamide?
(3S)-3-(1H-1,2,4-triazol-5-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]morpholine-4-carboxamide has a molecular weight of 342.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1H-1,2,4-triazol-5-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 124882155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).