4-(difluoromethyl)-5-ethyl-2H-triazole

C5H7F2N3 — CID 54125422

IUPAC4-(difluoromethyl)-5-ethyl-2H-triazole
SMILESCCc1n[nH]nc1C(F)F
InChIInChI=1S/C5H7F2N3/c1-2-3-4(5(6)7)9-10-8-3/h5H,2H2,1H3,(H,8,9,10)
InChIKeyNESDOPQHFOTJPA-UHFFFAOYSA-N
MW147.13 g/mol
LogP1.30
Rot. Bonds2

About 4-(difluoromethyl)-5-ethyl-2H-triazole

4-(difluoromethyl)-5-ethyl-2H-triazole (PubChem CID 54125422) has the molecular formula C5H7F2N3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-ethyl-2H-triazole.

Molecular Properties

Compound Name4-(difluoromethyl)-5-ethyl-2H-triazole
PubChem CID54125422
Molecular FormulaC5H7F2N3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name4-(difluoromethyl)-5-ethyl-2H-triazole
SMILESCCc1n[nH]nc1C(F)F
InChIInChI=1S/C5H7F2N3/c1-2-3-4(5(6)7)9-10-8-3/h5H,2H2,1H3,(H,8,9,10)
InChIKeyNESDOPQHFOTJPA-UHFFFAOYSA-N
XLogP1.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(difluoromethyl)-5-ethyl-2H-triazole with MolForge

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

Launch Full Analysis

Related Compounds

4-ethyl-5-propyl-2H-triazole
CID 69382323
4-chloro-5-ethyl-2H-triazole
CID 69384556
4-butyl-5-ethyl-2H-triazole
CID 69383465
5-(difluoromethyl)-4-ethyl-1,2-dimethylimidazole
CID 177327864
1-(5-ethyl-2H-triazol-4-yl)ethanone
CID 20871966
3-(5-ethyl-2H-triazol-4-yl)-2-methylpropanoic acid
CID 84768983
4-ethyl-5-phenyl-2H-triazole
CID 15501643
4,5-dibutyl-2H-triazole
CID 54195681
2-(difluoromethyl)-3,6-dimethylpyridine
CID 121232017
4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazole
CID 55278618
4-(1,1-difluoropropyl)-5-propyl-2H-triazole
CID 145215967
4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane
CID 165139530

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-ethyl-2H-triazole?
The IUPAC name of 4-(difluoromethyl)-5-ethyl-2H-triazole (CID 54125422) is 4-(difluoromethyl)-5-ethyl-2H-triazole.
What is the SMILES notation for 4-(difluoromethyl)-5-ethyl-2H-triazole?
The canonical SMILES for 4-(difluoromethyl)-5-ethyl-2H-triazole is CCc1n[nH]nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-ethyl-2H-triazole?
The InChIKey is NESDOPQHFOTJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3/c1-2-3-4(5(6)7)9-10-8-3/h5H,2H2,1H3,(H,8,9,10).
What are the key properties of 4-(difluoromethyl)-5-ethyl-2H-triazole?
4-(difluoromethyl)-5-ethyl-2H-triazole has a molecular weight of 147.13 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-ethyl-2H-triazole is sourced from PubChem (CID 54125422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).