N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]formamide

C10H8F2N4O — CID 90192786

IUPACN-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]formamide
SMILESO=CNc1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C10H8F2N4O/c11-8-2-1-3-9(12)7(8)4-16-5-10(13-6-17)14-15-16/h1-3,5-6H,4H2,(H,13,17)
InChIKeyLGRXLFMBAXRACM-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.17
Rot. Bonds4

About N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]formamide

N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]formamide (PubChem CID 90192786) has the molecular formula C10H8F2N4O and a molecular weight of 238.20 g/mol. Its IUPAC name is N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]formamide.

Molecular Properties

Compound NameN-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]formamide
PubChem CID90192786
Molecular FormulaC10H8F2N4O
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC NameN-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]formamide
SMILESO=CNc1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C10H8F2N4O/c11-8-2-1-3-9(12)7(8)4-16-5-10(13-6-17)14-15-16/h1-3,5-6H,4H2,(H,13,17)
InChIKeyLGRXLFMBAXRACM-UHFFFAOYSA-N
XLogP1.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]formamide?
The IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]formamide (CID 90192786) is N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]formamide.
What is the SMILES notation for N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]formamide?
The canonical SMILES for N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]formamide is O=CNc1cn(Cc2c(F)cccc2F)nn1.
What is the InChIKey of N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]formamide?
The InChIKey is LGRXLFMBAXRACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O/c11-8-2-1-3-9(12)7(8)4-16-5-10(13-6-17)14-15-16/h1-3,5-6H,4H2,(H,13,17).
What are the key properties of N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]formamide?
N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]formamide has a molecular weight of 238.20 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]formamide is sourced from PubChem (CID 90192786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).