2-[2-(difluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide

C6H8F2N4O2 — CID 175864558

IUPAC2-[2-(difluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncnn1CCOC(F)F
InChIInChI=1S/C6H8F2N4O2/c7-6(8)14-2-1-12-5(4(9)13)10-3-11-12/h3,6H,1-2H2,(H2,9,13)
InChIKeyOGHRYQGZHAQJEX-UHFFFAOYSA-N
MW206.15 g/mol
LogP-0.38
Rot. Bonds5

About 2-[2-(difluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide

2-[2-(difluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide (PubChem CID 175864558) has the molecular formula C6H8F2N4O2 and a molecular weight of 206.15 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide
PubChem CID175864558
Molecular FormulaC6H8F2N4O2
Molecular Weight206.15 g/mol
Exact Mass206.06
IUPAC Name2-[2-(difluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncnn1CCOC(F)F
InChIInChI=1S/C6H8F2N4O2/c7-6(8)14-2-1-12-5(4(9)13)10-3-11-12/h3,6H,1-2H2,(H2,9,13)
InChIKeyOGHRYQGZHAQJEX-UHFFFAOYSA-N
XLogP-0.38
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carboxamide
CID 67183316
Methyl 2-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole-3-carboxylate
CID 157030533
Methyl 2-[2-(difluoromethoxy)ethyl]-1,2,4-triazole-3-carboxylate
CID 157031851
1-(3,3,3-Trifluoropropyl)-1,2,4-triazole-3-carboxamide
CID 159716903
2-(2,2-Difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175864468
2-(1,1-Difluoropropan-2-yl)-1,2,4-triazole-3-carboxamide
CID 175864486
2-(2,2-Difluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175864494
2-[2-(Trifluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide
CID 175864500
2-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175864509
2-(3-Fluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175864546
2-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole-3-carboxamide
CID 175864550
[1-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 62952236

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-[2-(difluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide (CID 175864558) is 2-[2-(difluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-[2-(difluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-[2-(difluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide is NC(=O)c1ncnn1CCOC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is OGHRYQGZHAQJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O2/c7-6(8)14-2-1-12-5(4(9)13)10-3-11-12/h3,6H,1-2H2,(H2,9,13).
What are the key properties of 2-[2-(difluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide?
2-[2-(difluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 206.15 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 175864558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).