methyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate

C12H14ClN3O2 — CID 116990277

IUPACmethyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate
SMILESCOC(=O)C(c1nc2cc(Cl)ccn2n1)C(C)C
InChIInChI=1S/C12H14ClN3O2/c1-7(2)10(12(17)18-3)11-14-9-6-8(13)4-5-16(9)15-11/h4-7,10H,1-3H3
InChIKeyFYAZPJDKYOEGBB-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.30
Rot. Bonds3

About methyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate

methyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate (PubChem CID 116990277) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is methyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate
PubChem CID116990277
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Namemethyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate
SMILESCOC(=O)C(c1nc2cc(Cl)ccn2n1)C(C)C
InChIInChI=1S/C12H14ClN3O2/c1-7(2)10(12(17)18-3)11-14-9-6-8(13)4-5-16(9)15-11/h4-7,10H,1-3H3
InChIKeyFYAZPJDKYOEGBB-UHFFFAOYSA-N
XLogP2.30
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid
CID 116989763
(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine
CID 116990287
2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 116990013
3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid
CID 122093783
3-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid
CID 116990214
7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117257860
1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,N-dimethylmethanamine
CID 117257839
3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 116989744
3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile
CID 116989772
7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117257910
methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989721
methyl 3-methyl-2-[4-(2-methylpropyl)pyrimidin-2-yl]butanoate
CID 116903287

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate?
The IUPAC name of methyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate (CID 116990277) is methyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate.
What is the SMILES notation for methyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate?
The canonical SMILES for methyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate is COC(=O)C(c1nc2cc(Cl)ccn2n1)C(C)C.
What is the InChIKey of methyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate?
The InChIKey is FYAZPJDKYOEGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-7(2)10(12(17)18-3)11-14-9-6-8(13)4-5-16(9)15-11/h4-7,10H,1-3H3.
What are the key properties of methyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate?
methyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate has a molecular weight of 267.72 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate is sourced from PubChem (CID 116990277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).