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

C19H23N5O — CID 42950816

IUPAC2-[2-(4-benzylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCN2CCN(Cc3ccccc3)CC2)nc2ccccn12
InChIInChI=1S/C19H23N5O/c25-19-23-9-5-4-8-18(23)20-24(19)15-14-21-10-12-22(13-11-21)16-17-6-2-1-3-7-17/h1-9H,10-16H2
InChIKeyKGONHQUCYFBSDN-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.31
Rot. Bonds5

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

2-[2-(4-benzylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 42950816) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[2-(4-benzylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(4-benzylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID42950816
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-[2-(4-benzylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCN2CCN(Cc3ccccc3)CC2)nc2ccccn12
InChIInChI=1S/C19H23N5O/c25-19-23-9-5-4-8-18(23)20-24(19)15-14-21-10-12-22(13-11-21)16-17-6-2-1-3-7-17/h1-9H,10-16H2
InChIKeyKGONHQUCYFBSDN-UHFFFAOYSA-N
XLogP1.31
TPSA45.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(4-benzylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 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 2-[2-(4-benzylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(4-benzylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 42950816) is 2-[2-(4-benzylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(4-benzylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(4-benzylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCN2CCN(Cc3ccccc3)CC2)nc2ccccn12.
What is the InChIKey of 2-[2-(4-benzylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is KGONHQUCYFBSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-19-23-9-5-4-8-18(23)20-24(19)15-14-21-10-12-22(13-11-21)16-17-6-2-1-3-7-17/h1-9H,10-16H2.
What are the key properties of 2-[2-(4-benzylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(4-benzylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 337.43 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-benzylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 42950816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).