2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

C14H14ClN3O2 — CID 117156073

IUPAC2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)C1CCn2nc(Cc3ccc(Cl)cc3)nc2C1
InChIInChI=1S/C14H14ClN3O2/c15-11-3-1-9(2-4-11)7-12-16-13-8-10(14(19)20)5-6-18(13)17-12/h1-4,10H,5-8H2,(H,19,20)
InChIKeyPILOEIXZFYRKME-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.17
Rot. Bonds3

About 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 117156073) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID117156073
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)C1CCn2nc(Cc3ccc(Cl)cc3)nc2C1
InChIInChI=1S/C14H14ClN3O2/c15-11-3-1-9(2-4-11)7-12-16-13-8-10(14(19)20)5-6-18(13)17-12/h1-4,10H,5-8H2,(H,19,20)
InChIKeyPILOEIXZFYRKME-UHFFFAOYSA-N
XLogP2.17
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid with MolForge

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Related Compounds

[2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol
CID 117153630
2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 83965348
2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 83866002
2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117156026
2-(furan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117156043
2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117153410
2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117155922
1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 119904916
1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 45341294
(3S)-1-[3-(4-chlorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124700361
1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 5155000
1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid
CID 5243333

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (CID 117156073) is 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is O=C(O)C1CCn2nc(Cc3ccc(Cl)cc3)nc2C1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is PILOEIXZFYRKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-11-3-1-9(2-4-11)7-12-16-13-8-10(14(19)20)5-6-18(13)17-12/h1-4,10H,5-8H2,(H,19,20).
What are the key properties of 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 291.74 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117156073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).