3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-6-yl)propanoic acid

C9H13N3O2 — CID 83879288

IUPAC3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-6-yl)propanoic acid
SMILESO=C(O)CCC1CCc2cnnn2C1
InChIInChI=1S/C9H13N3O2/c13-9(14)4-2-7-1-3-8-5-10-11-12(8)6-7/h5,7H,1-4,6H2,(H,13,14)
InChIKeyKBCHCSKEFLSSHA-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.71
Rot. Bonds3

About 3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-6-yl)propanoic acid

3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-6-yl)propanoic acid (PubChem CID 83879288) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-6-yl)propanoic acid
PubChem CID83879288
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-6-yl)propanoic acid
SMILESO=C(O)CCC1CCc2cnnn2C1
InChIInChI=1S/C9H13N3O2/c13-9(14)4-2-7-1-3-8-5-10-11-12(8)6-7/h5,7H,1-4,6H2,(H,13,14)
InChIKeyKBCHCSKEFLSSHA-UHFFFAOYSA-N
XLogP0.71
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl)propanoic acid
CID 83878878
3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid
CID 83879292
3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid
CID 83891217
5,6-dihydro-4H-pyrrolo[1,2-c]triazole-6-carboxylic acid
CID 84716502
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
3-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]propanoic acid
CID 104605891
3-[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]propanoic acid
CID 97102083
3-[1-(2,6-dimethylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002592
4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxylic acid
CID 75465095
3-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)propanoic acid
CID 83883894
3-(1-cyclooctylpiperidin-3-yl)propanoic acid
CID 65071973
3-(6-oxopiperidin-3-yl)propanoic acid
CID 42609247

Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-6-yl)propanoic acid?
The IUPAC name of 3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-6-yl)propanoic acid (CID 83879288) is 3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-6-yl)propanoic acid.
What is the SMILES notation for 3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-6-yl)propanoic acid?
The canonical SMILES for 3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-6-yl)propanoic acid is O=C(O)CCC1CCc2cnnn2C1.
What is the InChIKey of 3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-6-yl)propanoic acid?
The InChIKey is KBCHCSKEFLSSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-9(14)4-2-7-1-3-8-5-10-11-12(8)6-7/h5,7H,1-4,6H2,(H,13,14).
What are the key properties of 3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-6-yl)propanoic acid?
3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-6-yl)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-6-yl)propanoic acid is sourced from PubChem (CID 83879288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).