[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

C16H21N5O2 — CID 53203643

IUPAC[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1cccc2nnc(N3CCN(C(=O)C4CCCO4)CC3)n12
InChIInChI=1S/C16H21N5O2/c1-12-4-2-6-14-17-18-16(21(12)14)20-9-7-19(8-10-20)15(22)13-5-3-11-23-13/h2,4,6,13H,3,5,7-11H2,1H3
InChIKeyXOUZASDZJPNAJI-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.87
Rot. Bonds2

About [4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 53203643) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID53203643
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1cccc2nnc(N3CCN(C(=O)C4CCCO4)CC3)n12
InChIInChI=1S/C16H21N5O2/c1-12-4-2-6-14-17-18-16(21(12)14)20-9-7-19(8-10-20)15(22)13-5-3-11-23-13/h2,4,6,13H,3,5,7-11H2,1H3
InChIKeyXOUZASDZJPNAJI-UHFFFAOYSA-N
XLogP0.87
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
(4-methoxyphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 53203471
(3-fluorophenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 53203474
(4-cyclohexylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone
CID 53203316
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95242996
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39782178
6-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]pyridazine-3-carboxylic acid
CID 138386441
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 39782177
[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 133488313
oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone
CID 113076272
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122279219

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 53203643) is [4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is Cc1cccc2nnc(N3CCN(C(=O)C4CCCO4)CC3)n12.
What is the InChIKey of [4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is XOUZASDZJPNAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12-4-2-6-14-17-18-16(21(12)14)20-9-7-19(8-10-20)15(22)13-5-3-11-23-13/h2,4,6,13H,3,5,7-11H2,1H3.
What are the key properties of [4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 53203643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).