2-pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one

C15H23N5O — CID 146183895

IUPAC2-pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCC(C)n1nc2cc(N3CCNCC3)ccn2c1=O
InChIInChI=1S/C15H23N5O/c1-3-4-12(2)20-15(21)19-8-5-13(11-14(19)17-20)18-9-6-16-7-10-18/h5,8,11-12,16H,3-4,6-7,9-10H2,1-2H3
InChIKeyKFUFJAFETJTTQN-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.27
Rot. Bonds4

About 2-pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 146183895) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID146183895
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCC(C)n1nc2cc(N3CCNCC3)ccn2c1=O
InChIInChI=1S/C15H23N5O/c1-3-4-12(2)20-15(21)19-8-5-13(11-14(19)17-20)18-9-6-16-7-10-18/h5,8,11-12,16H,3-4,6-7,9-10H2,1-2H3
InChIKeyKFUFJAFETJTTQN-UHFFFAOYSA-N
XLogP1.27
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 146183895) is 2-pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCCC(C)n1nc2cc(N3CCNCC3)ccn2c1=O.
What is the InChIKey of 2-pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is KFUFJAFETJTTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-4-12(2)20-15(21)19-8-5-13(11-14(19)17-20)18-9-6-16-7-10-18/h5,8,11-12,16H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 2-pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 289.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 146183895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).