methyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate

C11H13N3O2 — CID 116989828

IUPACmethyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate
SMILESCOC(=O)CCc1nc2c(C)cccn2n1
InChIInChI=1S/C11H13N3O2/c1-8-4-3-7-14-11(8)12-9(13-14)5-6-10(15)16-2/h3-4,7H,5-6H2,1-2H3
InChIKeyDXRIOVOXAJFDRO-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.14
Rot. Bonds3

About methyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate

methyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate (PubChem CID 116989828) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate
PubChem CID116989828
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate
SMILESCOC(=O)CCc1nc2c(C)cccn2n1
InChIInChI=1S/C11H13N3O2/c1-8-4-3-7-14-11(8)12-9(13-14)5-6-10(15)16-2/h3-4,7H,5-6H2,1-2H3
InChIKeyDXRIOVOXAJFDRO-UHFFFAOYSA-N
XLogP1.14
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine
CID 83866288
4-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-2-amine
CID 116989791
2-[(4-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566284
methyl 2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoate
CID 116989875
2-methoxy-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 116989886
methyl 3-(3-methyl-2-pyrazol-1-ylphenyl)propanoate
CID 177457386
2-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117137872
2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117258087
methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117258105
2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117137351
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
2-[[(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol
CID 114332643

Frequently Asked Questions

What is the IUPAC name of methyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate?
The IUPAC name of methyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate (CID 116989828) is methyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate.
What is the SMILES notation for methyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate?
The canonical SMILES for methyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate is COC(=O)CCc1nc2c(C)cccn2n1.
What is the InChIKey of methyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate?
The InChIKey is DXRIOVOXAJFDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8-4-3-7-14-11(8)12-9(13-14)5-6-10(15)16-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of methyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate?
methyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate has a molecular weight of 219.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate is sourced from PubChem (CID 116989828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).