2-[1-[[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]triazol-4-yl]ethanol

C18H24N8O — CID 46993611

IUPAC2-[1-[[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
SMILESCc1cnn(-c2cc(N3CCC(Cn4cc(CCO)nn4)CC3)ncn2)c1
InChIInChI=1S/C18H24N8O/c1-14-9-21-26(10-14)18-8-17(19-13-20-18)24-5-2-15(3-6-24)11-25-12-16(4-7-27)22-23-25/h8-10,12-13,15,27H,2-7,11H2,1H3
InChIKeyXUVOVKYLQCLSCO-UHFFFAOYSA-N
MW368.45 g/mol
LogP1.01
Rot. Bonds6

About 2-[1-[[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]triazol-4-yl]ethanol

2-[1-[[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]triazol-4-yl]ethanol (PubChem CID 46993611) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is 2-[1-[[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
PubChem CID46993611
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name2-[1-[[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
SMILESCc1cnn(-c2cc(N3CCC(Cn4cc(CCO)nn4)CC3)ncn2)c1
InChIInChI=1S/C18H24N8O/c1-14-9-21-26(10-14)18-8-17(19-13-20-18)24-5-2-15(3-6-24)11-25-12-16(4-7-27)22-23-25/h8-10,12-13,15,27H,2-7,11H2,1H3
InChIKeyXUVOVKYLQCLSCO-UHFFFAOYSA-N
XLogP1.01
TPSA97.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-[[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]triazol-4-yl]ethanol 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 2-[1-[[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]triazol-4-yl]ethanol (CID 46993611) is 2-[1-[[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]triazol-4-yl]ethanol is Cc1cnn(-c2cc(N3CCC(Cn4cc(CCO)nn4)CC3)ncn2)c1.
What is the InChIKey of 2-[1-[[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The InChIKey is XUVOVKYLQCLSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-14-9-21-26(10-14)18-8-17(19-13-20-18)24-5-2-15(3-6-24)11-25-12-16(4-7-27)22-23-25/h8-10,12-13,15,27H,2-7,11H2,1H3.
What are the key properties of 2-[1-[[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
2-[1-[[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]triazol-4-yl]ethanol has a molecular weight of 368.45 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 46993611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).