1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-ol

C11H10F3N3O — CID 67955453

IUPAC1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-ol
SMILESOc1ccc2c(nnn2CC2CC2)c1C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)9-8(18)4-3-7-10(9)15-16-17(7)5-6-1-2-6/h3-4,6,18H,1-2,5H2
InChIKeySZQZCVRPPVQGAR-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.57
Rot. Bonds2

About 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-ol

1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-ol (PubChem CID 67955453) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-ol.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-ol
PubChem CID67955453
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-ol
SMILESOc1ccc2c(nnn2CC2CC2)c1C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)9-8(18)4-3-7-10(9)15-16-17(7)5-6-1-2-6/h3-4,6,18H,1-2,5H2
InChIKeySZQZCVRPPVQGAR-UHFFFAOYSA-N
XLogP2.57
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-ol?
The IUPAC name of 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-ol (CID 67955453) is 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-ol.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-ol?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-ol is Oc1ccc2c(nnn2CC2CC2)c1C(F)(F)F.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-ol?
The InChIKey is SZQZCVRPPVQGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)9-8(18)4-3-7-10(9)15-16-17(7)5-6-1-2-6/h3-4,6,18H,1-2,5H2.
What are the key properties of 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-ol?
1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-ol has a molecular weight of 257.21 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-ol is sourced from PubChem (CID 67955453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).