3-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid

C11H12ClN3O2 — CID 116990115

IUPAC3-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)c1nc2ccc(Cl)cn2n1
InChIInChI=1S/C11H12ClN3O2/c1-11(2,5-9(16)17)10-13-8-4-3-7(12)6-15(8)14-10/h3-4,6H,5H2,1-2H3,(H,16,17)
InChIKeyCCXRCSMDWFAOGQ-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.13
Rot. Bonds3

About 3-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid

3-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid (PubChem CID 116990115) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 3-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid
PubChem CID116990115
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name3-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)c1nc2ccc(Cl)cn2n1
InChIInChI=1S/C11H12ClN3O2/c1-11(2,5-9(16)17)10-13-8-4-3-7(12)6-15(8)14-10/h3-4,6H,5H2,1-2H3,(H,16,17)
InChIKeyCCXRCSMDWFAOGQ-UHFFFAOYSA-N
XLogP2.13
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid
CID 116990214
2-(6-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-1-ol
CID 58316701
1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea
CID 86791264
6-chloro-2-propyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117130665
4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 114150223
2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 118482511
6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 122399895
3-(2-chloro-3,4-difluorophenyl)-3-methylbutanoic acid
CID 117374834
6-chloro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 102337827
methyl 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate
CID 116990162
tert-butyl-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamic acid
CID 174214091
6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106900179

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid?
The IUPAC name of 3-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid (CID 116990115) is 3-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid.
What is the SMILES notation for 3-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid?
The canonical SMILES for 3-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid is CC(C)(CC(=O)O)c1nc2ccc(Cl)cn2n1.
What is the InChIKey of 3-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid?
The InChIKey is CCXRCSMDWFAOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-11(2,5-9(16)17)10-13-8-4-3-7(12)6-15(8)14-10/h3-4,6H,5H2,1-2H3,(H,16,17).
What are the key properties of 3-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid?
3-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid has a molecular weight of 253.69 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid is sourced from PubChem (CID 116990115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).