2-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid

C11H17N3O2 — CID 83866387

IUPAC2-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid
SMILESCC(C)c1nnc2n1CCCC2CC(=O)O
InChIInChI=1S/C11H17N3O2/c1-7(2)10-12-13-11-8(6-9(15)16)4-3-5-14(10)11/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyFRPJPMMXTTWVMP-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.75
Rot. Bonds3

About 2-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid

2-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid (PubChem CID 83866387) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid.

Molecular Properties

Compound Name2-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid
PubChem CID83866387
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid
SMILESCC(C)c1nnc2n1CCCC2CC(=O)O
InChIInChI=1S/C11H17N3O2/c1-7(2)10-12-13-11-8(6-9(15)16)4-3-5-14(10)11/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyFRPJPMMXTTWVMP-UHFFFAOYSA-N
XLogP1.75
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid with MolForge

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Related Compounds

2-(3-bromo-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid
CID 83867630
3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82391986
1-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-amine
CID 83866349
1-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 112711460
2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzotriazol-4-yl)acetic acid
CID 83891238
4-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024233
3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117249927
N-methyl-2-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 154754032
(8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 94502047
3-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]benzoic acid
CID 122033267
2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid
CID 115039422
3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride
CID 146049793

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid?
The IUPAC name of 2-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid (CID 83866387) is 2-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid.
What is the SMILES notation for 2-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid?
The canonical SMILES for 2-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid is CC(C)c1nnc2n1CCCC2CC(=O)O.
What is the InChIKey of 2-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid?
The InChIKey is FRPJPMMXTTWVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)10-12-13-11-8(6-9(15)16)4-3-5-14(10)11/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid?
2-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid has a molecular weight of 223.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid is sourced from PubChem (CID 83866387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).