methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate

C14H12N4O2 — CID 82556512

IUPACmethyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate
SMILESCOC(=O)c1cccc(-c2cccc3nc(N)nn23)c1
InChIInChI=1S/C14H12N4O2/c1-20-13(19)10-5-2-4-9(8-10)11-6-3-7-12-16-14(15)17-18(11)12/h2-8H,1H3,(H2,15,17)
InChIKeyUUIHVNKGNKIWRW-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.77
Rot. Bonds2

About methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate

methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate (PubChem CID 82556512) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate
PubChem CID82556512
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Namemethyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate
SMILESCOC(=O)c1cccc(-c2cccc3nc(N)nn23)c1
InChIInChI=1S/C14H12N4O2/c1-20-13(19)10-5-2-4-9(8-10)11-6-3-7-12-16-14(15)17-18(11)12/h2-8H,1H3,(H2,15,17)
InChIKeyUUIHVNKGNKIWRW-UHFFFAOYSA-N
XLogP1.77
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141394397
5-(3-chloro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556505
methyl 3-pyridin-4-ylbenzoate
CID 5152687
3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide
CID 67293656
methyl 3-(6-aminopyridazin-3-yl)benzoate
CID 86682701
methyl 3-(2-amino-4-pyridinyl)benzoate
CID 82556028
ethane;methanamine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 145177419
methyl 3-(1-phenylpyrrol-2-yl)benzoate
CID 132547671
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
methyl 3-[3-(1-methylpyrazol-3-yl)phenyl]benzoate
CID 56858913
methyl 3-(4-aminofuran-3-yl)benzoate
CID 134284368
methyl 3-[3-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]benzoate
CID 169398246

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate?
The IUPAC name of methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate (CID 82556512) is methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate.
What is the SMILES notation for methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate?
The canonical SMILES for methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate is COC(=O)c1cccc(-c2cccc3nc(N)nn23)c1.
What is the InChIKey of methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate?
The InChIKey is UUIHVNKGNKIWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-20-13(19)10-5-2-4-9(8-10)11-6-3-7-12-16-14(15)17-18(11)12/h2-8H,1H3,(H2,15,17).
What are the key properties of methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate?
methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate has a molecular weight of 268.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate is sourced from PubChem (CID 82556512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).