2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C19H23N5O — CID 71315252

IUPAC2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCCN2CCN(c3ccccc3)CC2)nc2ccccn12
InChIInChI=1S/C19H23N5O/c25-19-23-11-5-4-9-18(23)20-24(19)12-6-10-21-13-15-22(16-14-21)17-7-2-1-3-8-17/h1-5,7-9,11H,6,10,12-16H2
InChIKeyJGIRPKCVHRVHJZ-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.71
Rot. Bonds5

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

2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 71315252) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID71315252
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCCN2CCN(c3ccccc3)CC2)nc2ccccn12
InChIInChI=1S/C19H23N5O/c25-19-23-11-5-4-9-18(23)20-24(19)12-6-10-21-13-15-22(16-14-21)17-7-2-1-3-8-17/h1-5,7-9,11H,6,10,12-16H2
InChIKeyJGIRPKCVHRVHJZ-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 71315252) is 2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCCN2CCN(c3ccccc3)CC2)nc2ccccn12.
What is the InChIKey of 2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is JGIRPKCVHRVHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-19-23-11-5-4-9-18(23)20-24(19)12-6-10-21-13-15-22(16-14-21)17-7-2-1-3-8-17/h1-5,7-9,11H,6,10,12-16H2.
What are the key properties of 2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 337.43 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 71315252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).