1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol

C17H22N8O — CID 45236299

IUPAC1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(CC2CCN(c3cc(-n4cccn4)ncn3)CC2)nn1
InChIInChI=1S/C17H22N8O/c1-13(26)15-11-24(22-21-15)10-14-3-7-23(8-4-14)16-9-17(19-12-18-16)25-6-2-5-20-25/h2,5-6,9,11-14,26H,3-4,7-8,10H2,1H3
InChIKeyAPWHUYHLDLLWCR-UHFFFAOYSA-N
MW354.42 g/mol
LogP1.22
Rot. Bonds5

About 1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol

1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol (PubChem CID 45236299) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is 1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol
PubChem CID45236299
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(CC2CCN(c3cc(-n4cccn4)ncn3)CC2)nn1
InChIInChI=1S/C17H22N8O/c1-13(26)15-11-24(22-21-15)10-14-3-7-23(8-4-14)16-9-17(19-12-18-16)25-6-2-5-20-25/h2,5-6,9,11-14,26H,3-4,7-8,10H2,1H3
InChIKeyAPWHUYHLDLLWCR-UHFFFAOYSA-N
XLogP1.22
TPSA97.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol with MolForge

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Related Compounds

(1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol
CID 130567336
[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 28854477
4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 155974337
5-propan-2-yl-2-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932905
[3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
CID 45220142
(1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 28739233
(1R)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 28739230
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337413
1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 45190479
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154853650
1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154885624

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol (CID 45236299) is 1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol is CC(O)c1cn(CC2CCN(c3cc(-n4cccn4)ncn3)CC2)nn1.
What is the InChIKey of 1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The InChIKey is APWHUYHLDLLWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c1-13(26)15-11-24(22-21-15)10-14-3-7-23(8-4-14)16-9-17(19-12-18-16)25-6-2-5-20-25/h2,5-6,9,11-14,26H,3-4,7-8,10H2,1H3.
What are the key properties of 1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol?
1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol has a molecular weight of 354.42 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 45236299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).