3-(oxolan-3-ylmethyl)-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridine

C15H21N5O — CID 117236129

IUPAC3-(oxolan-3-ylmethyl)-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1cn2c(CC3CCOC3)nnc2cc1N1CCNCC1
InChIInChI=1S/C15H21N5O/c1-5-20-14(9-12-2-8-21-11-12)17-18-15(20)10-13(1)19-6-3-16-4-7-19/h1,5,10,12,16H,2-4,6-9,11H2
InChIKeySYXNVKXAFMGXFL-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.72
Rot. Bonds3

About 3-(oxolan-3-ylmethyl)-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridine

3-(oxolan-3-ylmethyl)-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117236129) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethyl)-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(oxolan-3-ylmethyl)-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117236129
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-(oxolan-3-ylmethyl)-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1cn2c(CC3CCOC3)nnc2cc1N1CCNCC1
InChIInChI=1S/C15H21N5O/c1-5-20-14(9-12-2-8-21-11-12)17-18-15(20)10-13(1)19-6-3-16-4-7-19/h1,5,10,12,16H,2-4,6-9,11H2
InChIKeySYXNVKXAFMGXFL-UHFFFAOYSA-N
XLogP0.72
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117143951
7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine
CID 117236324
3-[(2,2-difluorocyclopropyl)methyl]-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 138488068
7-methyl-3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 79609021
methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140093
[3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143329
3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140261
3-ethyl-7-piperazin-1-ylimidazo[1,5-a]pyridine
CID 83894528
7-piperazin-1-yl-2-(piperidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117236368
6-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138014
7-methoxy-3-[(1-methylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117143037
[3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143246

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethyl)-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(oxolan-3-ylmethyl)-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 117236129) is 3-(oxolan-3-ylmethyl)-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(oxolan-3-ylmethyl)-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(oxolan-3-ylmethyl)-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridine is c1cn2c(CC3CCOC3)nnc2cc1N1CCNCC1.
What is the InChIKey of 3-(oxolan-3-ylmethyl)-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is SYXNVKXAFMGXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-5-20-14(9-12-2-8-21-11-12)17-18-15(20)10-13(1)19-6-3-16-4-7-19/h1,5,10,12,16H,2-4,6-9,11H2.
What are the key properties of 3-(oxolan-3-ylmethyl)-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridine?
3-(oxolan-3-ylmethyl)-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 287.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethyl)-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117236129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).