2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H21N5O — CID 86927836

IUPAC2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCN1CCN(CCn2nc3ccccn3c2=O)CC1
InChIInChI=1S/C14H21N5O/c1-2-16-7-9-17(10-8-16)11-12-19-14(20)18-6-4-3-5-13(18)15-19/h3-6H,2,7-12H2,1H3
InChIKeyNUFNZFZWYREUQK-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.13
Rot. Bonds4

About 2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 86927836) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID86927836
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCN1CCN(CCn2nc3ccccn3c2=O)CC1
InChIInChI=1S/C14H21N5O/c1-2-16-7-9-17(10-8-16)11-12-19-14(20)18-6-4-3-5-13(18)15-19/h3-6H,2,7-12H2,1H3
InChIKeyNUFNZFZWYREUQK-UHFFFAOYSA-N
XLogP0.13
TPSA45.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 86927836) is 2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCN1CCN(CCn2nc3ccccn3c2=O)CC1.
What is the InChIKey of 2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is NUFNZFZWYREUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-2-16-7-9-17(10-8-16)11-12-19-14(20)18-6-4-3-5-13(18)15-19/h3-6H,2,7-12H2,1H3.
What are the key properties of 2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 275.36 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 86927836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).