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

C18H28N6O — CID 45211277

IUPAC1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol
SMILESCCCc1cnc(C)nc1N1CCC(Cn2cc(C(C)O)nn2)CC1
InChIInChI=1S/C18H28N6O/c1-4-5-16-10-19-14(3)20-18(16)23-8-6-15(7-9-23)11-24-12-17(13(2)25)21-22-24/h10,12-13,15,25H,4-9,11H2,1-3H3
InChIKeyMSNKFMPMGIJCLM-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.30
Rot. Bonds6

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

1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol (PubChem CID 45211277) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol
PubChem CID45211277
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol
SMILESCCCc1cnc(C)nc1N1CCC(Cn2cc(C(C)O)nn2)CC1
InChIInChI=1S/C18H28N6O/c1-4-5-16-10-19-14(3)20-18(16)23-8-6-15(7-9-23)11-24-12-17(13(2)25)21-22-24/h10,12-13,15,25H,4-9,11H2,1-3H3
InChIKeyMSNKFMPMGIJCLM-UHFFFAOYSA-N
XLogP2.30
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol (CID 45211277) is 1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol is CCCc1cnc(C)nc1N1CCC(Cn2cc(C(C)O)nn2)CC1.
What is the InChIKey of 1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The InChIKey is MSNKFMPMGIJCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-4-5-16-10-19-14(3)20-18(16)23-8-6-15(7-9-23)11-24-12-17(13(2)25)21-22-24/h10,12-13,15,25H,4-9,11H2,1-3H3.
What are the key properties of 1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol?
1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol has a molecular weight of 344.46 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 45211277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).