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

C12H15N3O2 — CID 116989875

IUPACmethyl 2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoate
SMILESCCC(C(=O)OC)c1nc2c(C)cccn2n1
InChIInChI=1S/C12H15N3O2/c1-4-9(12(16)17-3)10-13-11-8(2)6-5-7-15(11)14-10/h5-7,9H,4H2,1-3H3
InChIKeyPVAIPKNDUMWJAT-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.70
Rot. Bonds3

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

methyl 2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoate (PubChem CID 116989875) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoate
PubChem CID116989875
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namemethyl 2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoate
SMILESCCC(C(=O)OC)c1nc2c(C)cccn2n1
InChIInChI=1S/C12H15N3O2/c1-4-9(12(16)17-3)10-13-11-8(2)6-5-7-15(11)14-10/h5-7,9H,4H2,1-3H3
InChIKeyPVAIPKNDUMWJAT-UHFFFAOYSA-N
XLogP1.70
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoate?
The IUPAC name of methyl 2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoate (CID 116989875) is methyl 2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoate.
What is the SMILES notation for methyl 2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoate?
The canonical SMILES for methyl 2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoate is CCC(C(=O)OC)c1nc2c(C)cccn2n1.
What is the InChIKey of methyl 2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoate?
The InChIKey is PVAIPKNDUMWJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-4-9(12(16)17-3)10-13-11-8(2)6-5-7-15(11)14-10/h5-7,9H,4H2,1-3H3.
What are the key properties of methyl 2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoate?
methyl 2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoate has a molecular weight of 233.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoate is sourced from PubChem (CID 116989875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).