[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid

C19H27F3N6O3 — CID 154891449

IUPAC[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
SMILESCCCc1cnc(C)nc1N1CCC(Cn2cc(CO)nn2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N6O.C2HF3O2/c1-3-4-15-9-18-13(2)19-17(15)22-7-5-14(6-8-22)10-23-11-16(12-24)20-21-23;3-2(4,5)1(6)7/h9,11,14,24H,3-8,10,12H2,1-2H3;(H,6,7)
InChIKeyPCEAHXVCKCNPDI-UHFFFAOYSA-N
MW444.46 g/mol
LogP2.37
Rot. Bonds6

About [1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid

[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid (PubChem CID 154891449) has the molecular formula C19H27F3N6O3 and a molecular weight of 444.46 g/mol. Its IUPAC name is [1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
PubChem CID154891449
Molecular FormulaC19H27F3N6O3
Molecular Weight444.46 g/mol
Exact Mass444.21
IUPAC Name[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
SMILESCCCc1cnc(C)nc1N1CCC(Cn2cc(CO)nn2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N6O.C2HF3O2/c1-3-4-15-9-18-13(2)19-17(15)22-7-5-14(6-8-22)10-23-11-16(12-24)20-21-23;3-2(4,5)1(6)7/h9,11,14,24H,3-8,10,12H2,1-2H3;(H,6,7)
InChIKeyPCEAHXVCKCNPDI-UHFFFAOYSA-N
XLogP2.37
TPSA117.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid 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

(1-{[1-(2-methyl-5-propyl-4-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanol
CID 29105639
1-(1-{[1-(2-methyl-5-propyl-4-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)ethanol trifluoroacetate (salt)
CID 45211277
[1-({1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methanol
CID 28641538
1-({1-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl}methyl)-1H-1,2,3-triazole-4-carboxylic acid
CID 56711836
5-[[4-(4-Cyclohexyltriazol-1-yl)piperidin-1-yl]methyl]-2-methylpyrimidine;2,2,2-trifluoroacetic acid
CID 154884429
1-[1-[[1-(2-Methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154887432
[1-[[1-[(2-Ethylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 154887854
5-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 154888260
2-[1-[[1-[2-(Dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154888359
1-[1-[[1-(6-Pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154890037
4-[4-[[4-(Methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 154890665
[1-[1-[(2-Cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 154924325

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid?
The IUPAC name of [1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid (CID 154891449) is [1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for [1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid is CCCc1cnc(C)nc1N1CCC(Cn2cc(CO)nn2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of [1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid?
The InChIKey is PCEAHXVCKCNPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O.C2HF3O2/c1-3-4-15-9-18-13(2)19-17(15)22-7-5-14(6-8-22)10-23-11-16(12-24)20-21-23;3-2(4,5)1(6)7/h9,11,14,24H,3-8,10,12H2,1-2H3;(H,6,7).
What are the key properties of [1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid?
[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid has a molecular weight of 444.46 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154891449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).