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

C11H13N3O2 — CID 83836917

IUPAC3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanoic acid
SMILESCc1nc2ccc(C(C)CC(=O)O)cn2n1
InChIInChI=1S/C11H13N3O2/c1-7(5-11(15)16)9-3-4-10-12-8(2)13-14(10)6-9/h3-4,6-7H,5H2,1-2H3,(H,15,16)
InChIKeyAWAAJRNDBHCNMI-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.62
Rot. Bonds3

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

3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanoic acid (PubChem CID 83836917) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanoic acid.

Molecular Properties

Compound Name3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanoic acid
PubChem CID83836917
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanoic acid
SMILESCc1nc2ccc(C(C)CC(=O)O)cn2n1
InChIInChI=1S/C11H13N3O2/c1-7(5-11(15)16)9-3-4-10-12-8(2)13-14(10)6-9/h3-4,6-7H,5H2,1-2H3,(H,15,16)
InChIKeyAWAAJRNDBHCNMI-UHFFFAOYSA-N
XLogP1.62
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one
CID 112713257
3-(3-methylimidazo[1,5-a]pyridin-6-yl)butanoic acid
CID 83836470
3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid
CID 116989392
3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenyl]butanoic acid
CID 104501883
(3R)-3-(3,4-dimethylphenyl)butanoic acid
CID 42073243
2-methyl-6-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126448157
1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 167761793
3-[4-(diethylamino)phenyl]butanoic acid
CID 20697009
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid
CID 83866305
3-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82498137
3-[4-(3,5-dimethylphenyl)phenyl]butanoic acid
CID 82092592

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanoic acid?
The IUPAC name of 3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanoic acid (CID 83836917) is 3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanoic acid.
What is the SMILES notation for 3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanoic acid?
The canonical SMILES for 3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanoic acid is Cc1nc2ccc(C(C)CC(=O)O)cn2n1.
What is the InChIKey of 3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanoic acid?
The InChIKey is AWAAJRNDBHCNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(5-11(15)16)9-3-4-10-12-8(2)13-14(10)6-9/h3-4,6-7H,5H2,1-2H3,(H,15,16).
What are the key properties of 3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanoic acid?
3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanoic acid has a molecular weight of 219.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanoic acid is sourced from PubChem (CID 83836917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).