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

C13H19N5O — CID 82713574

IUPAC2-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC[C@H]1CNCCN1CCn1nc2ccccn2c1=O
InChIInChI=1S/C13H19N5O/c1-11-10-14-5-7-16(11)8-9-18-13(19)17-6-3-2-4-12(17)15-18/h2-4,6,11,14H,5,7-10H2,1H3/t11-/m0/s1
InChIKeyWRFOLHAAYAOEDN-NSHDSACASA-N
MW261.33 g/mol
LogP-0.21
Rot. Bonds3

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

2-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 82713574) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID82713574
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC[C@H]1CNCCN1CCn1nc2ccccn2c1=O
InChIInChI=1S/C13H19N5O/c1-11-10-14-5-7-16(11)8-9-18-13(19)17-6-3-2-4-12(17)15-18/h2-4,6,11,14H,5,7-10H2,1H3/t11-/m0/s1
InChIKeyWRFOLHAAYAOEDN-NSHDSACASA-N
XLogP-0.21
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 82713574) is 2-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is C[C@H]1CNCCN1CCn1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is WRFOLHAAYAOEDN-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N5O/c1-11-10-14-5-7-16(11)8-9-18-13(19)17-6-3-2-4-12(17)15-18/h2-4,6,11,14H,5,7-10H2,1H3/t11-/m0/s1.
What are the key properties of 2-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 261.33 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 82713574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).