cyclopropyl-[1-(3,4-dichlorophenyl)triazol-4-yl]methanone

C12H9Cl2N3O — CID 1485788

IUPACcyclopropyl-[1-(3,4-dichlorophenyl)triazol-4-yl]methanone
SMILESO=C(c1cn(-c2ccc(Cl)c(Cl)c2)nn1)C1CC1
InChIInChI=1S/C12H9Cl2N3O/c13-9-4-3-8(5-10(9)14)17-6-11(15-16-17)12(18)7-1-2-7/h3-7H,1-2H2
InChIKeyFFJCMFYCKSGRKX-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.17
Rot. Bonds3

About cyclopropyl-[1-(3,4-dichlorophenyl)triazol-4-yl]methanone

cyclopropyl-[1-(3,4-dichlorophenyl)triazol-4-yl]methanone (PubChem CID 1485788) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is cyclopropyl-[1-(3,4-dichlorophenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-(3,4-dichlorophenyl)triazol-4-yl]methanone
PubChem CID1485788
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Namecyclopropyl-[1-(3,4-dichlorophenyl)triazol-4-yl]methanone
SMILESO=C(c1cn(-c2ccc(Cl)c(Cl)c2)nn1)C1CC1
InChIInChI=1S/C12H9Cl2N3O/c13-9-4-3-8(5-10(9)14)17-6-11(15-16-17)12(18)7-1-2-7/h3-7H,1-2H2
InChIKeyFFJCMFYCKSGRKX-UHFFFAOYSA-N
XLogP3.17
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[1-(3,4-dichlorophenyl)triazol-4-yl]methanone 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 cyclopropyl-[1-(3,4-dichlorophenyl)triazol-4-yl]methanone?
The IUPAC name of cyclopropyl-[1-(3,4-dichlorophenyl)triazol-4-yl]methanone (CID 1485788) is cyclopropyl-[1-(3,4-dichlorophenyl)triazol-4-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-(3,4-dichlorophenyl)triazol-4-yl]methanone?
The canonical SMILES for cyclopropyl-[1-(3,4-dichlorophenyl)triazol-4-yl]methanone is O=C(c1cn(-c2ccc(Cl)c(Cl)c2)nn1)C1CC1.
What is the InChIKey of cyclopropyl-[1-(3,4-dichlorophenyl)triazol-4-yl]methanone?
The InChIKey is FFJCMFYCKSGRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-9-4-3-8(5-10(9)14)17-6-11(15-16-17)12(18)7-1-2-7/h3-7H,1-2H2.
What are the key properties of cyclopropyl-[1-(3,4-dichlorophenyl)triazol-4-yl]methanone?
cyclopropyl-[1-(3,4-dichlorophenyl)triazol-4-yl]methanone has a molecular weight of 282.13 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-(3,4-dichlorophenyl)triazol-4-yl]methanone is sourced from PubChem (CID 1485788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).