1-[(2,2-difluorocyclopropyl)methyl]-5-methylsulfanyltriazole

C7H9F2N3S — CID 167245624

IUPAC1-[(2,2-difluorocyclopropyl)methyl]-5-methylsulfanyltriazole
SMILESCSc1cnnn1CC1CC1(F)F
InChIInChI=1S/C7H9F2N3S/c1-13-6-3-10-11-12(6)4-5-2-7(5,8)9/h3,5H,2,4H2,1H3
InChIKeyGFZGOCGVYCZUJI-UHFFFAOYSA-N
MW205.23 g/mol
LogP1.66
Rot. Bonds3

About 1-[(2,2-difluorocyclopropyl)methyl]-5-methylsulfanyltriazole

1-[(2,2-difluorocyclopropyl)methyl]-5-methylsulfanyltriazole (PubChem CID 167245624) has the molecular formula C7H9F2N3S and a molecular weight of 205.23 g/mol. Its IUPAC name is 1-[(2,2-difluorocyclopropyl)methyl]-5-methylsulfanyltriazole.

Molecular Properties

Compound Name1-[(2,2-difluorocyclopropyl)methyl]-5-methylsulfanyltriazole
PubChem CID167245624
Molecular FormulaC7H9F2N3S
Molecular Weight205.23 g/mol
Exact Mass205.05
IUPAC Name1-[(2,2-difluorocyclopropyl)methyl]-5-methylsulfanyltriazole
SMILESCSc1cnnn1CC1CC1(F)F
InChIInChI=1S/C7H9F2N3S/c1-13-6-3-10-11-12(6)4-5-2-7(5,8)9/h3,5H,2,4H2,1H3
InChIKeyGFZGOCGVYCZUJI-UHFFFAOYSA-N
XLogP1.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2,2-difluorocyclopropyl)methyl]-5-methylsulfanyltriazole 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-[(2,2-difluorocyclopropyl)methyl]-5-methylsulfanyltriazole?
The IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-5-methylsulfanyltriazole (CID 167245624) is 1-[(2,2-difluorocyclopropyl)methyl]-5-methylsulfanyltriazole.
What is the SMILES notation for 1-[(2,2-difluorocyclopropyl)methyl]-5-methylsulfanyltriazole?
The canonical SMILES for 1-[(2,2-difluorocyclopropyl)methyl]-5-methylsulfanyltriazole is CSc1cnnn1CC1CC1(F)F.
What is the InChIKey of 1-[(2,2-difluorocyclopropyl)methyl]-5-methylsulfanyltriazole?
The InChIKey is GFZGOCGVYCZUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3S/c1-13-6-3-10-11-12(6)4-5-2-7(5,8)9/h3,5H,2,4H2,1H3.
What are the key properties of 1-[(2,2-difluorocyclopropyl)methyl]-5-methylsulfanyltriazole?
1-[(2,2-difluorocyclopropyl)methyl]-5-methylsulfanyltriazole has a molecular weight of 205.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluorocyclopropyl)methyl]-5-methylsulfanyltriazole is sourced from PubChem (CID 167245624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).