1-(cyclopropylmethyl)-5-methyl-4-(trifluoromethyl)benzotriazole

C12H12F3N3 — CID 67888724

IUPAC1-(cyclopropylmethyl)-5-methyl-4-(trifluoromethyl)benzotriazole
SMILESCc1ccc2c(nnn2CC2CC2)c1C(F)(F)F
InChIInChI=1S/C12H12F3N3/c1-7-2-5-9-11(10(7)12(13,14)15)16-17-18(9)6-8-3-4-8/h2,5,8H,3-4,6H2,1H3
InChIKeyLIEGAYDRYFPAAH-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.17
Rot. Bonds2

About 1-(cyclopropylmethyl)-5-methyl-4-(trifluoromethyl)benzotriazole

1-(cyclopropylmethyl)-5-methyl-4-(trifluoromethyl)benzotriazole (PubChem CID 67888724) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-methyl-4-(trifluoromethyl)benzotriazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-methyl-4-(trifluoromethyl)benzotriazole
PubChem CID67888724
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name1-(cyclopropylmethyl)-5-methyl-4-(trifluoromethyl)benzotriazole
SMILESCc1ccc2c(nnn2CC2CC2)c1C(F)(F)F
InChIInChI=1S/C12H12F3N3/c1-7-2-5-9-11(10(7)12(13,14)15)16-17-18(9)6-8-3-4-8/h2,5,8H,3-4,6H2,1H3
InChIKeyLIEGAYDRYFPAAH-UHFFFAOYSA-N
XLogP3.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethyl)-5-methyl-4-(trifluoromethyl)benzotriazole 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)-5-methyl-4-(trifluoromethyl)benzotriazole?
The IUPAC name of 1-(cyclopropylmethyl)-5-methyl-4-(trifluoromethyl)benzotriazole (CID 67888724) is 1-(cyclopropylmethyl)-5-methyl-4-(trifluoromethyl)benzotriazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-methyl-4-(trifluoromethyl)benzotriazole?
The canonical SMILES for 1-(cyclopropylmethyl)-5-methyl-4-(trifluoromethyl)benzotriazole is Cc1ccc2c(nnn2CC2CC2)c1C(F)(F)F.
What is the InChIKey of 1-(cyclopropylmethyl)-5-methyl-4-(trifluoromethyl)benzotriazole?
The InChIKey is LIEGAYDRYFPAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-7-2-5-9-11(10(7)12(13,14)15)16-17-18(9)6-8-3-4-8/h2,5,8H,3-4,6H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-5-methyl-4-(trifluoromethyl)benzotriazole?
1-(cyclopropylmethyl)-5-methyl-4-(trifluoromethyl)benzotriazole has a molecular weight of 255.24 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-methyl-4-(trifluoromethyl)benzotriazole is sourced from PubChem (CID 67888724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).