[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol

C17H26N6O — CID 29105639

IUPAC[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESCCCc1cnc(C)nc1N1CCC(Cn2cc(CO)nn2)CC1
InChIInChI=1S/C17H26N6O/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/h9,11,14,24H,3-8,10,12H2,1-2H3
InChIKeyWPGXJCSGRLVMLC-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.74
Rot. Bonds6

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

[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol (PubChem CID 29105639) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is [1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
PubChem CID29105639
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESCCCc1cnc(C)nc1N1CCC(Cn2cc(CO)nn2)CC1
InChIInChI=1S/C17H26N6O/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/h9,11,14,24H,3-8,10,12H2,1-2H3
InChIKeyWPGXJCSGRLVMLC-UHFFFAOYSA-N
XLogP1.74
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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?
The IUPAC name of [1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol (CID 29105639) is [1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol is CCCc1cnc(C)nc1N1CCC(Cn2cc(CO)nn2)CC1.
What is the InChIKey of [1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
The InChIKey is WPGXJCSGRLVMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/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/h9,11,14,24H,3-8,10,12H2,1-2H3.
What are the key properties of [1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol has a molecular weight of 330.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 29105639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).