5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid

C15H17N3O2 — CID 43325185

IUPAC5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid
SMILESCCCc1ccc(-n2nnc(C(=O)O)c2C2CC2)cc1
InChIInChI=1S/C15H17N3O2/c1-2-3-10-4-8-12(9-5-10)18-14(11-6-7-11)13(15(19)20)16-17-18/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyBQOJAYPXSNJSQQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.80
Rot. Bonds5

About 5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid

5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid (PubChem CID 43325185) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid
PubChem CID43325185
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid
SMILESCCCc1ccc(-n2nnc(C(=O)O)c2C2CC2)cc1
InChIInChI=1S/C15H17N3O2/c1-2-3-10-4-8-12(9-5-10)18-14(11-6-7-11)13(15(19)20)16-17-18/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyBQOJAYPXSNJSQQ-UHFFFAOYSA-N
XLogP2.80
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-1-(3,4-diethoxyphenyl)triazole-4-carboxylic acid
CID 94940288
5-cyclopropyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 43652371
5-cyclopropyl-1-(3-propoxycarbonylphenyl)triazole-4-carboxylic acid
CID 94940286
5-cyclopropyl-1-ethyltriazole-4-carboxylic acid
CID 62055602
5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
CID 82201144
1-(4-bromophenyl)-5-cyclopropyl-N-[2-(ethylamino)ethyl]triazole-4-carboxamide
CID 119509494
5-tert-butyl-1-(4-butylphenyl)triazole-4-carboxylic acid
CID 82201083
1-(4-bromophenyl)-5-cyclopropyl-N-[2-(ethylamino)ethyl]triazole-4-carboxamide;hydrochloride
CID 119509493
5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)triazole-4-carboxylic acid
CID 107575524
1-(4-butylphenyl)-5-cyclopropyltriazole-4-carbonitrile
CID 82195929
1-(4-butylphenyl)-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 82201161
(5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 75428023

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid (CID 43325185) is 5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid is CCCc1ccc(-n2nnc(C(=O)O)c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid?
The InChIKey is BQOJAYPXSNJSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-3-10-4-8-12(9-5-10)18-14(11-6-7-11)13(15(19)20)16-17-18/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,19,20).
What are the key properties of 5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid?
5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid is sourced from PubChem (CID 43325185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).