methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

C16H15N3O4 — CID 82567251

IUPACmethyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cc(OC)cc(OC)c3)nn2c1
InChIInChI=1S/C16H15N3O4/c1-21-12-6-11(7-13(8-12)22-2)15-17-14-5-4-10(16(20)23-3)9-19(14)18-15/h4-9H,1-3H3
InChIKeyMMJFAQXGOSYGNC-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.20
Rot. Bonds4

About methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 82567251) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
PubChem CID82567251
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Namemethyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cc(OC)cc(OC)c3)nn2c1
InChIInChI=1S/C16H15N3O4/c1-21-12-6-11(7-13(8-12)22-2)15-17-14-5-4-10(16(20)23-3)9-19(14)18-15/h4-9H,1-3H3
InChIKeyMMJFAQXGOSYGNC-UHFFFAOYSA-N
XLogP2.20
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567225
methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130742
methyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567266
methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567260
2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
CID 82567315
methyl 2-chloro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 130871543
methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117257789
2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117130737
2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566386
methyl 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567227
methyl 2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130631
methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 166392936

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (CID 82567251) is methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3cc(OC)cc(OC)c3)nn2c1.
What is the InChIKey of methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is MMJFAQXGOSYGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-21-12-6-11(7-13(8-12)22-2)15-17-14-5-4-10(16(20)23-3)9-19(14)18-15/h4-9H,1-3H3.
What are the key properties of methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 82567251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).