5-cyclopropyl-1-(2-propan-2-ylphenyl)triazole-4-carboxylic acid

C15H17N3O2 — CID 43325192

IUPAC5-cyclopropyl-1-(2-propan-2-ylphenyl)triazole-4-carboxylic acid
SMILESCC(C)c1ccccc1-n1nnc(C(=O)O)c1C1CC1
InChIInChI=1S/C15H17N3O2/c1-9(2)11-5-3-4-6-12(11)18-14(10-7-8-10)13(15(19)20)16-17-18/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
InChIKeyALZJFIODPZKFIH-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.97
Rot. Bonds4

About 5-cyclopropyl-1-(2-propan-2-ylphenyl)triazole-4-carboxylic acid

5-cyclopropyl-1-(2-propan-2-ylphenyl)triazole-4-carboxylic acid (PubChem CID 43325192) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-propan-2-ylphenyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-propan-2-ylphenyl)triazole-4-carboxylic acid
PubChem CID43325192
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-cyclopropyl-1-(2-propan-2-ylphenyl)triazole-4-carboxylic acid
SMILESCC(C)c1ccccc1-n1nnc(C(=O)O)c1C1CC1
InChIInChI=1S/C15H17N3O2/c1-9(2)11-5-3-4-6-12(11)18-14(10-7-8-10)13(15(19)20)16-17-18/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
InChIKeyALZJFIODPZKFIH-UHFFFAOYSA-N
XLogP2.97
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-1-(2-methylsulfanylphenyl)triazole-4-carboxylic acid
CID 43325203
1-(3-chloro-2-methylphenyl)-5-cyclopropyltriazole-4-carboxylic acid
CID 43142139
5-cyclobutyl-1-(2-fluorophenyl)triazole-4-carboxylic acid
CID 82201402
5-cyclobutyl-1-(2-ethoxyphenyl)triazole-4-carboxylic acid
CID 82201408
5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
CID 82201144
5-cyclohexyl-1-(2-fluorophenyl)triazole-4-carboxylic acid
CID 82201206
1-(2-fluorophenyl)-5-(oxan-4-yl)triazole-4-carboxylic acid
CID 59604222
1-(3-chloro-2-methylphenyl)-5-cyclobutyltriazole-4-carboxylic acid
CID 82201401
3-(2-propan-2-ylphenyl)benzotriazole-5-carboxylic acid
CID 82771053
5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid
CID 43325185
5-cyclopropyl-1-(3,4-diethoxyphenyl)triazole-4-carboxylic acid
CID 94940288
5-cyclopropyl-1-[1-(dimethylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 62053744

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-propan-2-ylphenyl)triazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-(2-propan-2-ylphenyl)triazole-4-carboxylic acid (CID 43325192) is 5-cyclopropyl-1-(2-propan-2-ylphenyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-(2-propan-2-ylphenyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-(2-propan-2-ylphenyl)triazole-4-carboxylic acid is CC(C)c1ccccc1-n1nnc(C(=O)O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2-propan-2-ylphenyl)triazole-4-carboxylic acid?
The InChIKey is ALZJFIODPZKFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9(2)11-5-3-4-6-12(11)18-14(10-7-8-10)13(15(19)20)16-17-18/h3-6,9-10H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 5-cyclopropyl-1-(2-propan-2-ylphenyl)triazole-4-carboxylic acid?
5-cyclopropyl-1-(2-propan-2-ylphenyl)triazole-4-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-propan-2-ylphenyl)triazole-4-carboxylic acid is sourced from PubChem (CID 43325192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).