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

C15H17N3O2 — CID 117128350

IUPACmethyl 2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)C1CCCn2nc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C15H17N3O2/c1-10-5-7-11(8-6-10)13-16-14-12(15(19)20-2)4-3-9-18(14)17-13/h5-8,12H,3-4,9H2,1-2H3
InChIKeyWUHQUMMAXUGDOH-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.30
Rot. Bonds2

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

methyl 2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (PubChem CID 117128350) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
PubChem CID117128350
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Namemethyl 2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)C1CCCn2nc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C15H17N3O2/c1-10-5-7-11(8-6-10)13-16-14-12(15(19)20-2)4-3-9-18(14)17-13/h5-8,12H,3-4,9H2,1-2H3
InChIKeyWUHQUMMAXUGDOH-UHFFFAOYSA-N
XLogP2.30
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (CID 117128350) is methyl 2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is COC(=O)C1CCCn2nc(-c3ccc(C)cc3)nc21.
What is the InChIKey of methyl 2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The InChIKey is WUHQUMMAXUGDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-5-7-11(8-6-10)13-16-14-12(15(19)20-2)4-3-9-18(14)17-13/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of methyl 2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
methyl 2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 117128350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).