methyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate

C13H17N5O3 — CID 115537833

IUPACmethyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C13H17N5O3/c1-21-12(20)10-4-2-3-5-17(10)7-9-6-11(19)18-13(16-9)14-8-15-18/h6,8,10H,2-5,7H2,1H3,(H,14,15,16)/t10-/m1/s1
InChIKeyKANXZQGMQMHSTO-SNVBAGLBSA-N
MW291.31 g/mol
LogP-0.05
Rot. Bonds3

About methyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate

methyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate (PubChem CID 115537833) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate
PubChem CID115537833
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Namemethyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C13H17N5O3/c1-21-12(20)10-4-2-3-5-17(10)7-9-6-11(19)18-13(16-9)14-8-15-18/h6,8,10H,2-5,7H2,1H3,(H,14,15,16)/t10-/m1/s1
InChIKeyKANXZQGMQMHSTO-SNVBAGLBSA-N
XLogP-0.05
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate with MolForge

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Related Compounds

methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate
CID 42926266
methyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate
CID 103055321
methyl 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate
CID 62026541
methyl (2R)-1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-2-carboxylate
CID 79835424
methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
CID 79833729
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate
CID 78990366
methyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-2-carboxylate
CID 78915575
methyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate
CID 115279213
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate
CID 103055728

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate (CID 115537833) is methyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of methyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate?
The InChIKey is KANXZQGMQMHSTO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-21-12(20)10-4-2-3-5-17(10)7-9-6-11(19)18-13(16-9)14-8-15-18/h6,8,10H,2-5,7H2,1H3,(H,14,15,16)/t10-/m1/s1.
What are the key properties of methyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate?
methyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate has a molecular weight of 291.31 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 115537833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).