[4-(2-methoxyethyl)piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

C14H19N5O2 — CID 53200745

IUPAC[4-(2-methoxyethyl)piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCOCCC1CCN(C(=O)c2nc3ncccn3n2)CC1
InChIInChI=1S/C14H19N5O2/c1-21-10-5-11-3-8-18(9-4-11)13(20)12-16-14-15-6-2-7-19(14)17-12/h2,6-7,11H,3-5,8-10H2,1H3
InChIKeyNJAHFUXCAVMOHY-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.01
Rot. Bonds4

About [4-(2-methoxyethyl)piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

[4-(2-methoxyethyl)piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 53200745) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is [4-(2-methoxyethyl)piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyethyl)piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID53200745
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name[4-(2-methoxyethyl)piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCOCCC1CCN(C(=O)c2nc3ncccn3n2)CC1
InChIInChI=1S/C14H19N5O2/c1-21-10-5-11-3-8-18(9-4-11)13(20)12-16-14-15-6-2-7-19(14)17-12/h2,6-7,11H,3-5,8-10H2,1H3
InChIKeyNJAHFUXCAVMOHY-UHFFFAOYSA-N
XLogP1.01
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(2-methoxyethyl)piperidin-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 [4-(2-methoxyethyl)piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of [4-(2-methoxyethyl)piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (CID 53200745) is [4-(2-methoxyethyl)piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for [4-(2-methoxyethyl)piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for [4-(2-methoxyethyl)piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is COCCC1CCN(C(=O)c2nc3ncccn3n2)CC1.
What is the InChIKey of [4-(2-methoxyethyl)piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is NJAHFUXCAVMOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-21-10-5-11-3-8-18(9-4-11)13(20)12-16-14-15-6-2-7-19(14)17-12/h2,6-7,11H,3-5,8-10H2,1H3.
What are the key properties of [4-(2-methoxyethyl)piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
[4-(2-methoxyethyl)piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 289.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 53200745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).