6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C10H13N5O — CID 134414454

IUPAC6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1[nH]nc2ccc(N3CCNCC3)cn12
InChIInChI=1S/C10H13N5O/c16-10-13-12-9-2-1-8(7-15(9)10)14-5-3-11-4-6-14/h1-2,7,11H,3-6H2,(H,13,16)
InChIKeyNTRVHFALTQYJTG-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.57
Rot. Bonds1

About 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 134414454) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID134414454
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1[nH]nc2ccc(N3CCNCC3)cn12
InChIInChI=1S/C10H13N5O/c16-10-13-12-9-2-1-8(7-15(9)10)14-5-3-11-4-6-14/h1-2,7,11H,3-6H2,(H,13,16)
InChIKeyNTRVHFALTQYJTG-UHFFFAOYSA-N
XLogP-0.57
TPSA65.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 134414454) is 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1[nH]nc2ccc(N3CCNCC3)cn12.
What is the InChIKey of 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is NTRVHFALTQYJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c16-10-13-12-9-2-1-8(7-15(9)10)14-5-3-11-4-6-14/h1-2,7,11H,3-6H2,(H,13,16).
What are the key properties of 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 219.25 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 134414454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).