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

C6H8F2N4O2 — CID 175864548

IUPAC3-[2-(difluoromethoxy)ethyl]triazole-4-carboxamide
SMILESNC(=O)c1cnnn1CCOC(F)F
InChIInChI=1S/C6H8F2N4O2/c7-6(8)14-2-1-12-4(5(9)13)3-10-11-12/h3,6H,1-2H2,(H2,9,13)
InChIKeyPPYFESDFOSGRAG-UHFFFAOYSA-N
MW206.15 g/mol
LogP-0.38
Rot. Bonds5

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

3-[2-(difluoromethoxy)ethyl]triazole-4-carboxamide (PubChem CID 175864548) has the molecular formula C6H8F2N4O2 and a molecular weight of 206.15 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)ethyl]triazole-4-carboxamide
PubChem CID175864548
Molecular FormulaC6H8F2N4O2
Molecular Weight206.15 g/mol
Exact Mass206.06
IUPAC Name3-[2-(difluoromethoxy)ethyl]triazole-4-carboxamide
SMILESNC(=O)c1cnnn1CCOC(F)F
InChIInChI=1S/C6H8F2N4O2/c7-6(8)14-2-1-12-4(5(9)13)3-10-11-12/h3,6H,1-2H2,(H2,9,13)
InChIKeyPPYFESDFOSGRAG-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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)ethyl]triazole-4-carboxamide?
The IUPAC name of 3-[2-(difluoromethoxy)ethyl]triazole-4-carboxamide (CID 175864548) is 3-[2-(difluoromethoxy)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 3-[2-(difluoromethoxy)ethyl]triazole-4-carboxamide?
The canonical SMILES for 3-[2-(difluoromethoxy)ethyl]triazole-4-carboxamide is NC(=O)c1cnnn1CCOC(F)F.
What is the InChIKey of 3-[2-(difluoromethoxy)ethyl]triazole-4-carboxamide?
The InChIKey is PPYFESDFOSGRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O2/c7-6(8)14-2-1-12-4(5(9)13)3-10-11-12/h3,6H,1-2H2,(H2,9,13).
What are the key properties of 3-[2-(difluoromethoxy)ethyl]triazole-4-carboxamide?
3-[2-(difluoromethoxy)ethyl]triazole-4-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 3-[2-(difluoromethoxy)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 175864548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).