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

C5H7F2N3 — CID 147510251

IUPAC1-(difluoromethyl)-3-ethyl-1,2,4-triazole
SMILESCCc1ncn(C(F)F)n1
InChIInChI=1S/C5H7F2N3/c1-2-4-8-3-10(9-4)5(6)7/h3,5H,2H2,1H3
InChIKeyFJDSHPDDAXBAIB-UHFFFAOYSA-N
MW147.13 g/mol
LogP1.24
Rot. Bonds2

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

1-(difluoromethyl)-3-ethyl-1,2,4-triazole (PubChem CID 147510251) has the molecular formula C5H7F2N3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(difluoromethyl)-3-ethyl-1,2,4-triazole
PubChem CID147510251
Molecular FormulaC5H7F2N3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name1-(difluoromethyl)-3-ethyl-1,2,4-triazole
SMILESCCc1ncn(C(F)F)n1
InChIInChI=1S/C5H7F2N3/c1-2-4-8-3-10(9-4)5(6)7/h3,5H,2H2,1H3
InChIKeyFJDSHPDDAXBAIB-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 1-(difluoromethyl)-3-ethyl-1,2,4-triazole?
The IUPAC name of 1-(difluoromethyl)-3-ethyl-1,2,4-triazole (CID 147510251) is 1-(difluoromethyl)-3-ethyl-1,2,4-triazole.
What is the SMILES notation for 1-(difluoromethyl)-3-ethyl-1,2,4-triazole?
The canonical SMILES for 1-(difluoromethyl)-3-ethyl-1,2,4-triazole is CCc1ncn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-3-ethyl-1,2,4-triazole?
The InChIKey is FJDSHPDDAXBAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3/c1-2-4-8-3-10(9-4)5(6)7/h3,5H,2H2,1H3.
What are the key properties of 1-(difluoromethyl)-3-ethyl-1,2,4-triazole?
1-(difluoromethyl)-3-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 1-(difluoromethyl)-3-ethyl-1,2,4-triazole is sourced from PubChem (CID 147510251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).