3-(difluoromethyl)-4-ethyl-1,2,4-triazole

C5H7F2N3 — CID 115394784

IUPAC3-(difluoromethyl)-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1C(F)F
InChIInChI=1S/C5H7F2N3/c1-2-10-3-8-9-5(10)4(6)7/h3-4H,2H2,1H3
InChIKeyBJUYEXHLBODRFW-UHFFFAOYSA-N
MW147.13 g/mol
LogP1.24
Rot. Bonds2

About 3-(difluoromethyl)-4-ethyl-1,2,4-triazole

3-(difluoromethyl)-4-ethyl-1,2,4-triazole (PubChem CID 115394784) has the molecular formula C5H7F2N3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(difluoromethyl)-4-ethyl-1,2,4-triazole
PubChem CID115394784
Molecular FormulaC5H7F2N3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name3-(difluoromethyl)-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1C(F)F
InChIInChI=1S/C5H7F2N3/c1-2-10-3-8-9-5(10)4(6)7/h3-4H,2H2,1H3
InChIKeyBJUYEXHLBODRFW-UHFFFAOYSA-N
XLogP1.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-ethyl-1,2,4-triazole?
The IUPAC name of 3-(difluoromethyl)-4-ethyl-1,2,4-triazole (CID 115394784) is 3-(difluoromethyl)-4-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-(difluoromethyl)-4-ethyl-1,2,4-triazole?
The canonical SMILES for 3-(difluoromethyl)-4-ethyl-1,2,4-triazole is CCn1cnnc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-ethyl-1,2,4-triazole?
The InChIKey is BJUYEXHLBODRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3/c1-2-10-3-8-9-5(10)4(6)7/h3-4H,2H2,1H3.
What are the key properties of 3-(difluoromethyl)-4-ethyl-1,2,4-triazole?
3-(difluoromethyl)-4-ethyl-1,2,4-triazole has a molecular weight of 147.13 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-ethyl-1,2,4-triazole is sourced from PubChem (CID 115394784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).