pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone

C16H16N6O — CID 53203405

IUPACpyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCN(c2nnc3ccccn23)CC1
InChIInChI=1S/C16H16N6O/c23-15(13-4-3-6-17-12-13)20-8-10-21(11-9-20)16-19-18-14-5-1-2-7-22(14)16/h1-7,12H,8-11H2
InChIKeyYKTUQCOQUQGDBM-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.09
Rot. Bonds2

About pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone

pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone (PubChem CID 53203405) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone
PubChem CID53203405
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Namepyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCN(c2nnc3ccccn23)CC1
InChIInChI=1S/C16H16N6O/c23-15(13-4-3-6-17-12-13)20-8-10-21(11-9-20)16-19-18-14-5-1-2-7-22(14)16/h1-7,12H,8-11H2
InChIKeyYKTUQCOQUQGDBM-UHFFFAOYSA-N
XLogP1.09
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 43018368
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 122334551
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
CID 53203403
[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 110756069
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 108533126
3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
CID 83278566
(3-fluoro-4-methoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 87054141
[(2S)-1-methylpyrrolidin-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 138808781
[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone
CID 53203708
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
(1,5-dimethylpyrazol-3-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 139598620

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone (CID 53203405) is pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone is O=C(c1cccnc1)N1CCN(c2nnc3ccccn23)CC1.
What is the InChIKey of pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone?
The InChIKey is YKTUQCOQUQGDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c23-15(13-4-3-6-17-12-13)20-8-10-21(11-9-20)16-19-18-14-5-1-2-7-22(14)16/h1-7,12H,8-11H2.
What are the key properties of pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone?
pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone has a molecular weight of 308.34 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 53203405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).