N-(2,6-difluorophenyl)-1-(4-ethoxyoxolan-3-yl)triazole-4-carboxamide

C15H16F2N4O3 — CID 171359055

IUPACN-(2,6-difluorophenyl)-1-(4-ethoxyoxolan-3-yl)triazole-4-carboxamide
SMILESCCOC1COCC1n1cc(C(=O)Nc2c(F)cccc2F)nn1
InChIInChI=1S/C15H16F2N4O3/c1-2-24-13-8-23-7-12(13)21-6-11(19-20-21)15(22)18-14-9(16)4-3-5-10(14)17/h3-6,12-13H,2,7-8H2,1H3,(H,18,22)
InChIKeySOCBXWPYNVHUGS-UHFFFAOYSA-N
MW338.31 g/mol
LogP1.78
Rot. Bonds5

About N-(2,6-difluorophenyl)-1-(4-ethoxyoxolan-3-yl)triazole-4-carboxamide

N-(2,6-difluorophenyl)-1-(4-ethoxyoxolan-3-yl)triazole-4-carboxamide (PubChem CID 171359055) has the molecular formula C15H16F2N4O3 and a molecular weight of 338.31 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1-(4-ethoxyoxolan-3-yl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1-(4-ethoxyoxolan-3-yl)triazole-4-carboxamide
PubChem CID171359055
Molecular FormulaC15H16F2N4O3
Molecular Weight338.31 g/mol
Exact Mass338.12
IUPAC NameN-(2,6-difluorophenyl)-1-(4-ethoxyoxolan-3-yl)triazole-4-carboxamide
SMILESCCOC1COCC1n1cc(C(=O)Nc2c(F)cccc2F)nn1
InChIInChI=1S/C15H16F2N4O3/c1-2-24-13-8-23-7-12(13)21-6-11(19-20-21)15(22)18-14-9(16)4-3-5-10(14)17/h3-6,12-13H,2,7-8H2,1H3,(H,18,22)
InChIKeySOCBXWPYNVHUGS-UHFFFAOYSA-N
XLogP1.78
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1-(4-ethoxyoxolan-3-yl)triazole-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-1-(4-ethoxyoxolan-3-yl)triazole-4-carboxamide (CID 171359055) is N-(2,6-difluorophenyl)-1-(4-ethoxyoxolan-3-yl)triazole-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-1-(4-ethoxyoxolan-3-yl)triazole-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-1-(4-ethoxyoxolan-3-yl)triazole-4-carboxamide is CCOC1COCC1n1cc(C(=O)Nc2c(F)cccc2F)nn1.
What is the InChIKey of N-(2,6-difluorophenyl)-1-(4-ethoxyoxolan-3-yl)triazole-4-carboxamide?
The InChIKey is SOCBXWPYNVHUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O3/c1-2-24-13-8-23-7-12(13)21-6-11(19-20-21)15(22)18-14-9(16)4-3-5-10(14)17/h3-6,12-13H,2,7-8H2,1H3,(H,18,22).
What are the key properties of N-(2,6-difluorophenyl)-1-(4-ethoxyoxolan-3-yl)triazole-4-carboxamide?
N-(2,6-difluorophenyl)-1-(4-ethoxyoxolan-3-yl)triazole-4-carboxamide has a molecular weight of 338.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-1-(4-ethoxyoxolan-3-yl)triazole-4-carboxamide is sourced from PubChem (CID 171359055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).