2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid

C10H15N3O2 — CID 83866018

IUPAC2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid
SMILESCCc1nc2n(n1)CCC(CC(=O)O)C2
InChIInChI=1S/C10H15N3O2/c1-2-8-11-9-5-7(6-10(14)15)3-4-13(9)12-8/h7H,2-6H2,1H3,(H,14,15)
InChIKeyNWAUZUHMDWTBFP-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.88
Rot. Bonds3

About 2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid

2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid (PubChem CID 83866018) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid
PubChem CID83866018
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid
SMILESCCc1nc2n(n1)CCC(CC(=O)O)C2
InChIInChI=1S/C10H15N3O2/c1-2-8-11-9-5-7(6-10(14)15)3-4-13(9)12-8/h7H,2-6H2,1H3,(H,14,15)
InChIKeyNWAUZUHMDWTBFP-UHFFFAOYSA-N
XLogP0.88
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid with MolForge

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Related Compounds

1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylmethanamine
CID 83866008
2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid
CID 83817108
3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid
CID 83891217
[2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 83866001
2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid
CID 83825730
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 66509632
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
[2-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156369
2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157005
(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine
CID 82567991
[2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156276
1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)propan-2-amine
CID 83865979

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid (CID 83866018) is 2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid is CCc1nc2n(n1)CCC(CC(=O)O)C2.
What is the InChIKey of 2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid?
The InChIKey is NWAUZUHMDWTBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-8-11-9-5-7(6-10(14)15)3-4-13(9)12-8/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid?
2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid has a molecular weight of 209.25 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid is sourced from PubChem (CID 83866018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).