[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

C15H21N5O3 — CID 155912194

IUPAC[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCCC[C@]1(CO)CCN(C(=O)c2nc3ncccn3n2)C[C@H]1O
InChIInChI=1S/C15H21N5O3/c1-2-4-15(10-21)5-8-19(9-11(15)22)13(23)12-17-14-16-6-3-7-20(14)18-12/h3,6-7,11,21-22H,2,4-5,8-10H2,1H3/t11-,15-/m1/s1
InChIKeyITJPWOGCWHDNCF-IAQYHMDHSA-N
MW319.37 g/mol
LogP0.11
Rot. Bonds4

About [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 155912194) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID155912194
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCCC[C@]1(CO)CCN(C(=O)c2nc3ncccn3n2)C[C@H]1O
InChIInChI=1S/C15H21N5O3/c1-2-4-15(10-21)5-8-19(9-11(15)22)13(23)12-17-14-16-6-3-7-20(14)18-12/h3,6-7,11,21-22H,2,4-5,8-10H2,1H3/t11-,15-/m1/s1
InChIKeyITJPWOGCWHDNCF-IAQYHMDHSA-N
XLogP0.11
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone 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 [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (CID 155912194) is [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is CCC[C@]1(CO)CCN(C(=O)c2nc3ncccn3n2)C[C@H]1O.
What is the InChIKey of [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is ITJPWOGCWHDNCF-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-2-4-15(10-21)5-8-19(9-11(15)22)13(23)12-17-14-16-6-3-7-20(14)18-12/h3,6-7,11,21-22H,2,4-5,8-10H2,1H3/t11-,15-/m1/s1.
What are the key properties of [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 319.37 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 155912194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).