5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid

C15H17N3O3 — CID 82201144

IUPAC5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
SMILESCCCOc1ccccc1-n1nnc(C(=O)O)c1C1CC1
InChIInChI=1S/C15H17N3O3/c1-2-9-21-12-6-4-3-5-11(12)18-14(10-7-8-10)13(15(19)20)16-17-18/h3-6,10H,2,7-9H2,1H3,(H,19,20)
InChIKeyMUDBHIPRVUMEOI-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.63
Rot. Bonds6

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

5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid (PubChem CID 82201144) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
PubChem CID82201144
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
SMILESCCCOc1ccccc1-n1nnc(C(=O)O)c1C1CC1
InChIInChI=1S/C15H17N3O3/c1-2-9-21-12-6-4-3-5-11(12)18-14(10-7-8-10)13(15(19)20)16-17-18/h3-6,10H,2,7-9H2,1H3,(H,19,20)
InChIKeyMUDBHIPRVUMEOI-UHFFFAOYSA-N
XLogP2.63
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid (CID 82201144) is 5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid is CCCOc1ccccc1-n1nnc(C(=O)O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid?
The InChIKey is MUDBHIPRVUMEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-9-21-12-6-4-3-5-11(12)18-14(10-7-8-10)13(15(19)20)16-17-18/h3-6,10H,2,7-9H2,1H3,(H,19,20).
What are the key properties of 5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid?
5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid is sourced from PubChem (CID 82201144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).