methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate

C13H17N5O2 — CID 115538281

IUPACmethyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nccn2c(C)nnc12
InChIInChI=1S/C13H17N5O2/c1-9-15-16-12-11(14-6-8-17(9)12)18-7-4-3-5-10(18)13(19)20-2/h6,8,10H,3-5,7H2,1-2H3
InChIKeyMEXMIPVYCFUUNK-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.96
Rot. Bonds2

About methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate

methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate (PubChem CID 115538281) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate
PubChem CID115538281
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Namemethyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nccn2c(C)nnc12
InChIInChI=1S/C13H17N5O2/c1-9-15-16-12-11(14-6-8-17(9)12)18-7-4-3-5-10(18)13(19)20-2/h6,8,10H,3-5,7H2,1-2H3
InChIKeyMEXMIPVYCFUUNK-UHFFFAOYSA-N
XLogP0.96
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate
CID 104733431
methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate
CID 115538344
methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate
CID 115534569
methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate
CID 113446554
[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165435128
methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate
CID 112676429
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate
CID 115538265
methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate
CID 113330911
methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate
CID 15546272
methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
CID 115538188
1-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid
CID 167892498
2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid
CID 64818022

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate (CID 115538281) is methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1nccn2c(C)nnc12.
What is the InChIKey of methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate?
The InChIKey is MEXMIPVYCFUUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-15-16-12-11(14-6-8-17(9)12)18-7-4-3-5-10(18)13(19)20-2/h6,8,10H,3-5,7H2,1-2H3.
What are the key properties of methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate?
methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate is sourced from PubChem (CID 115538281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).