1-cyclopropylbenzotriazole-5-carboxylic acid

C10H9N3O2 — CID 10465474

IUPAC1-cyclopropylbenzotriazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nnn2C1CC1
InChIInChI=1S/C10H9N3O2/c14-10(15)6-1-4-9-8(5-6)11-12-13(9)7-2-3-7/h1,4-5,7H,2-3H2,(H,14,15)
InChIKeyUYVLESLXWSORKA-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.46
Rot. Bonds2

About 1-cyclopropylbenzotriazole-5-carboxylic acid

1-cyclopropylbenzotriazole-5-carboxylic acid (PubChem CID 10465474) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-cyclopropylbenzotriazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropylbenzotriazole-5-carboxylic acid
PubChem CID10465474
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name1-cyclopropylbenzotriazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nnn2C1CC1
InChIInChI=1S/C10H9N3O2/c14-10(15)6-1-4-9-8(5-6)11-12-13(9)7-2-3-7/h1,4-5,7H,2-3H2,(H,14,15)
InChIKeyUYVLESLXWSORKA-UHFFFAOYSA-N
XLogP1.46
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylbenzotriazole-5-carboxylic acid?
The IUPAC name of 1-cyclopropylbenzotriazole-5-carboxylic acid (CID 10465474) is 1-cyclopropylbenzotriazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclopropylbenzotriazole-5-carboxylic acid?
The canonical SMILES for 1-cyclopropylbenzotriazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nnn2C1CC1.
What is the InChIKey of 1-cyclopropylbenzotriazole-5-carboxylic acid?
The InChIKey is UYVLESLXWSORKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-10(15)6-1-4-9-8(5-6)11-12-13(9)7-2-3-7/h1,4-5,7H,2-3H2,(H,14,15).
What are the key properties of 1-cyclopropylbenzotriazole-5-carboxylic acid?
1-cyclopropylbenzotriazole-5-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylbenzotriazole-5-carboxylic acid is sourced from PubChem (CID 10465474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).