2-[5-methyl-3-[[(2R)-morpholin-2-yl]methylamino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol

C16H18F3N5O2 — CID 166099144

IUPAC2-[5-methyl-3-[[(2R)-morpholin-2-yl]methylamino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
SMILESCc1nc(NC[C@H]2CNCCO2)nnc1-c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C16H18F3N5O2/c1-9-14(12-3-2-10(6-13(12)25)16(17,18)19)23-24-15(22-9)21-8-11-7-20-4-5-26-11/h2-3,6,11,20,25H,4-5,7-8H2,1H3,(H,21,22,24)/t11-/m1/s1
InChIKeyVKCFLQFENWHSON-LLVKDONJSA-N
MW369.35 g/mol
LogP1.97
Rot. Bonds4

About 2-[5-methyl-3-[[(2R)-morpholin-2-yl]methylamino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol

2-[5-methyl-3-[[(2R)-morpholin-2-yl]methylamino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol (PubChem CID 166099144) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 2-[5-methyl-3-[[(2R)-morpholin-2-yl]methylamino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[5-methyl-3-[[(2R)-morpholin-2-yl]methylamino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
PubChem CID166099144
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name2-[5-methyl-3-[[(2R)-morpholin-2-yl]methylamino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
SMILESCc1nc(NC[C@H]2CNCCO2)nnc1-c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C16H18F3N5O2/c1-9-14(12-3-2-10(6-13(12)25)16(17,18)19)23-24-15(22-9)21-8-11-7-20-4-5-26-11/h2-3,6,11,20,25H,4-5,7-8H2,1H3,(H,21,22,24)/t11-/m1/s1
InChIKeyVKCFLQFENWHSON-LLVKDONJSA-N
XLogP1.97
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[5-methyl-3-[[(2R)-morpholin-2-yl]methylamino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol 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

2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 166099131
5-cyclopropyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
CID 168973538
3-fluoro-5-methyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
CID 171342624
2-[3-[1-(3-Hydroxyphenyl)ethylamino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 171763674
2-[3-[(3aS,7aR)-6-ethyl-3a,7a-dimethyl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 178295527
2-[7-[[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol
CID 178308812
2-[3-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol
CID 178311168
2-[3-[(3aS,7aR)-3a,6,7a-trimethyl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 178315328
2-[3-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltetrazol-5-yl)phenol
CID 139536678
6-[4-[3-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one
CID 139536836
2-[3-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol
CID 139537458
(Z)-2-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-N-methylbut-2-enimidoyl fluoride
CID 153348847

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-[[(2R)-morpholin-2-yl]methylamino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[5-methyl-3-[[(2R)-morpholin-2-yl]methylamino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol (CID 166099144) is 2-[5-methyl-3-[[(2R)-morpholin-2-yl]methylamino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[5-methyl-3-[[(2R)-morpholin-2-yl]methylamino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[5-methyl-3-[[(2R)-morpholin-2-yl]methylamino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol is Cc1nc(NC[C@H]2CNCCO2)nnc1-c1ccc(C(F)(F)F)cc1O.
What is the InChIKey of 2-[5-methyl-3-[[(2R)-morpholin-2-yl]methylamino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol?
The InChIKey is VKCFLQFENWHSON-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-9-14(12-3-2-10(6-13(12)25)16(17,18)19)23-24-15(22-9)21-8-11-7-20-4-5-26-11/h2-3,6,11,20,25H,4-5,7-8H2,1H3,(H,21,22,24)/t11-/m1/s1.
What are the key properties of 2-[5-methyl-3-[[(2R)-morpholin-2-yl]methylamino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol?
2-[5-methyl-3-[[(2R)-morpholin-2-yl]methylamino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol has a molecular weight of 369.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-[[(2R)-morpholin-2-yl]methylamino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 166099144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).