3-(difluoromethyl)-5-ethyl-1H-1,2,4-triazole

C5H7F2N3 — CID 61278542

IUPAC3-(difluoromethyl)-5-ethyl-1H-1,2,4-triazole
SMILESCCc1nc(C(F)F)n[nH]1
InChIInChI=1S/C5H7F2N3/c1-2-3-8-5(4(6)7)10-9-3/h4H,2H2,1H3,(H,8,9,10)
InChIKeyKDZKTFWNROPHKX-UHFFFAOYSA-N
MW147.13 g/mol
LogP1.30
Rot. Bonds2

About 3-(difluoromethyl)-5-ethyl-1H-1,2,4-triazole

3-(difluoromethyl)-5-ethyl-1H-1,2,4-triazole (PubChem CID 61278542) has the molecular formula C5H7F2N3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-ethyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(difluoromethyl)-5-ethyl-1H-1,2,4-triazole
PubChem CID61278542
Molecular FormulaC5H7F2N3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name3-(difluoromethyl)-5-ethyl-1H-1,2,4-triazole
SMILESCCc1nc(C(F)F)n[nH]1
InChIInChI=1S/C5H7F2N3/c1-2-3-8-5(4(6)7)10-9-3/h4H,2H2,1H3,(H,8,9,10)
InChIKeyKDZKTFWNROPHKX-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

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-ethyl-1H-1,2,4-triazole?
The IUPAC name of 3-(difluoromethyl)-5-ethyl-1H-1,2,4-triazole (CID 61278542) is 3-(difluoromethyl)-5-ethyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(difluoromethyl)-5-ethyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(difluoromethyl)-5-ethyl-1H-1,2,4-triazole is CCc1nc(C(F)F)n[nH]1.
What is the InChIKey of 3-(difluoromethyl)-5-ethyl-1H-1,2,4-triazole?
The InChIKey is KDZKTFWNROPHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3/c1-2-3-8-5(4(6)7)10-9-3/h4H,2H2,1H3,(H,8,9,10).
What are the key properties of 3-(difluoromethyl)-5-ethyl-1H-1,2,4-triazole?
3-(difluoromethyl)-5-ethyl-1H-1,2,4-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 3-(difluoromethyl)-5-ethyl-1H-1,2,4-triazole is sourced from PubChem (CID 61278542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).