[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-(1-methylpiperidin-3-yl)methanol

C19H23F3N4O2 — CID 176945813

IUPAC[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-(1-methylpiperidin-3-yl)methanol
SMILESCOc1cc(C(F)(F)F)ccc1-c1nnc(C(O)C2CCCN(C)C2)nc1C
InChIInChI=1S/C19H23F3N4O2/c1-11-16(14-7-6-13(19(20,21)22)9-15(14)28-3)24-25-18(23-11)17(27)12-5-4-8-26(2)10-12/h6-7,9,12,17,27H,4-5,8,10H2,1-3H3
InChIKeyMWJSULOSAZKJOV-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.25
Rot. Bonds4

About [6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-(1-methylpiperidin-3-yl)methanol

[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-(1-methylpiperidin-3-yl)methanol (PubChem CID 176945813) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is [6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-(1-methylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-(1-methylpiperidin-3-yl)methanol
PubChem CID176945813
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC Name[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-(1-methylpiperidin-3-yl)methanol
SMILESCOc1cc(C(F)(F)F)ccc1-c1nnc(C(O)C2CCCN(C)C2)nc1C
InChIInChI=1S/C19H23F3N4O2/c1-11-16(14-7-6-13(19(20,21)22)9-15(14)28-3)24-25-18(23-11)17(27)12-5-4-8-26(2)10-12/h6-7,9,12,17,27H,4-5,8,10H2,1-3H3
InChIKeyMWJSULOSAZKJOV-UHFFFAOYSA-N
XLogP3.25
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol
CID 169066845
2-[6-[hydroxy-(1-methylpiperidin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 169066771
[6-(5-fluoro-2-methoxy-4-methylphenyl)-5-methylpyridazin-3-yl]-[(3R)-1-methylpiperidin-3-yl]methanol
CID 170226586
(S)-1-azabicyclo[2.2.2]octan-3-yl-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol
CID 170214288
2-[3-[[(3R)-1-cyclopropylpiperidin-3-yl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 166099156
1-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]-8-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrrolo[1,2-d][1,2,4]triazin-4-amine
CID 171852643
1-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrrolo[1,2-d][1,2,4]triazin-4-amine
CID 171852361
[2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)phenyl] formate
CID 171852081
4-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-1-amine
CID 171852287
[6-[2-methoxy-4-(trifluoromethyl)phenyl]-3-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-4-yl]methanesulfonamide
CID 178140390
tert-butyl 3-[hydroxy-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methyl]azepane-1-carboxylate
CID 169189980
3-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine
CID 171826626

Frequently Asked Questions

What is the IUPAC name of [6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-(1-methylpiperidin-3-yl)methanol?
The IUPAC name of [6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-(1-methylpiperidin-3-yl)methanol (CID 176945813) is [6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-(1-methylpiperidin-3-yl)methanol.
What is the SMILES notation for [6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-(1-methylpiperidin-3-yl)methanol?
The canonical SMILES for [6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-(1-methylpiperidin-3-yl)methanol is COc1cc(C(F)(F)F)ccc1-c1nnc(C(O)C2CCCN(C)C2)nc1C.
What is the InChIKey of [6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-(1-methylpiperidin-3-yl)methanol?
The InChIKey is MWJSULOSAZKJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-11-16(14-7-6-13(19(20,21)22)9-15(14)28-3)24-25-18(23-11)17(27)12-5-4-8-26(2)10-12/h6-7,9,12,17,27H,4-5,8,10H2,1-3H3.
What are the key properties of [6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-(1-methylpiperidin-3-yl)methanol?
[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-(1-methylpiperidin-3-yl)methanol has a molecular weight of 396.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-(1-methylpiperidin-3-yl)methanol is sourced from PubChem (CID 176945813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).