methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

C14H15N3O2 — CID 82568091

IUPACmethyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)C1CCCc2nc(-c3ccccc3)nn21
InChIInChI=1S/C14H15N3O2/c1-19-14(18)11-8-5-9-12-15-13(16-17(11)12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKeyFPGVDKBJYNLCSU-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.00
Rot. Bonds2

About methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 82568091) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
PubChem CID82568091
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namemethyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)C1CCCc2nc(-c3ccccc3)nn21
InChIInChI=1S/C14H15N3O2/c1-19-14(18)11-8-5-9-12-15-13(16-17(11)12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKeyFPGVDKBJYNLCSU-UHFFFAOYSA-N
XLogP2.00
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate with MolForge

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Related Compounds

methyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82568096
methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82568086
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
methyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate
CID 117128368
2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82567904
5-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247863
2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 117128680
2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 83892838
methyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate
CID 68682512
methyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate
CID 132918901
methyl (2S)-1-benzyl-6-(nitromethylidene)piperidine-2-carboxylate
CID 91400636

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (CID 82568091) is methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is COC(=O)C1CCCc2nc(-c3ccccc3)nn21.
What is the InChIKey of methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is FPGVDKBJYNLCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-14(18)11-8-5-9-12-15-13(16-17(11)12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3.
What are the key properties of methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 82568091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).