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

C14H15N3O2 — CID 117127940

IUPAC4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
SMILESCC1CCCn2nc(-c3ccc(C(=O)O)cc3)nc21
InChIInChI=1S/C14H15N3O2/c1-9-3-2-8-17-13(9)15-12(16-17)10-4-6-11(7-5-10)14(18)19/h4-7,9H,2-3,8H2,1H3,(H,18,19)
InChIKeyWMBGUYXARPZTOI-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.54
Rot. Bonds2

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

4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid (PubChem CID 117127940) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
PubChem CID117127940
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
SMILESCC1CCCn2nc(-c3ccc(C(=O)O)cc3)nc21
InChIInChI=1S/C14H15N3O2/c1-9-3-2-8-17-13(9)15-12(16-17)10-4-6-11(7-5-10)14(18)19/h4-7,9H,2-3,8H2,1H3,(H,18,19)
InChIKeyWMBGUYXARPZTOI-UHFFFAOYSA-N
XLogP2.54
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117158236
methyl 2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117128350
3-(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117158357
2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 83966772
[4-(8-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanamine
CID 83966866
3-amino-1-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propan-1-one
CID 164698666
1,4-dimethylcyclohexane;terephthalic acid
CID 66647934
(1-cyclopropylpyrrol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164688966
1-methyl-5-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one
CID 164691158
2-cyclopropyl-1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone;formic acid
CID 166598940
3-[(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol
CID 117158112
4-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid
CID 117158327

Frequently Asked Questions

What is the IUPAC name of 4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid?
The IUPAC name of 4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid (CID 117127940) is 4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid.
What is the SMILES notation for 4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid?
The canonical SMILES for 4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid is CC1CCCn2nc(-c3ccc(C(=O)O)cc3)nc21.
What is the InChIKey of 4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid?
The InChIKey is WMBGUYXARPZTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-3-2-8-17-13(9)15-12(16-17)10-4-6-11(7-5-10)14(18)19/h4-7,9H,2-3,8H2,1H3,(H,18,19).
What are the key properties of 4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid?
4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid is sourced from PubChem (CID 117127940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).