2-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one

C20H25N7O — CID 126915121

IUPAC2-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CCN1CCN(c3nnc4ccccn34)CC1)CCCC2
InChIInChI=1S/C20H25N7O/c28-19-15-16-5-1-2-6-17(16)23-27(19)14-11-24-9-12-25(13-10-24)20-22-21-18-7-3-4-8-26(18)20/h3-4,7-8,15H,1-2,5-6,9-14H2
InChIKeyADDFQRHDLZTABN-UHFFFAOYSA-N
MW379.47 g/mol
LogP0.99
Rot. Bonds4

About 2-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126915121) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126915121
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name2-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CCN1CCN(c3nnc4ccccn34)CC1)CCCC2
InChIInChI=1S/C20H25N7O/c28-19-15-16-5-1-2-6-17(16)23-27(19)14-11-24-9-12-25(13-10-24)20-22-21-18-7-3-4-8-26(18)20/h3-4,7-8,15H,1-2,5-6,9-14H2
InChIKeyADDFQRHDLZTABN-UHFFFAOYSA-N
XLogP0.99
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924581
2-[2-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915147
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 139680137
2-[2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914456
2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914968
2-[2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914913
2-[2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915131
2-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914452
2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914663
2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915119
2-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914877
2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914444

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126915121) is 2-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1CCN1CCN(c3nnc4ccccn34)CC1)CCCC2.
What is the InChIKey of 2-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is ADDFQRHDLZTABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c28-19-15-16-5-1-2-6-17(16)23-27(19)14-11-24-9-12-25(13-10-24)20-22-21-18-7-3-4-8-26(18)20/h3-4,7-8,15H,1-2,5-6,9-14H2.
What are the key properties of 2-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 379.47 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126915121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).