N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2,5-difluorobenzamide

C13H12F2N4O — CID 86791283

IUPACN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2,5-difluorobenzamide
SMILESO=C(Nc1n[nH]c(C2CCC2)n1)c1cc(F)ccc1F
InChIInChI=1S/C13H12F2N4O/c14-8-4-5-10(15)9(6-8)12(20)17-13-16-11(18-19-13)7-2-1-3-7/h4-7H,1-3H2,(H2,16,17,18,19,20)
InChIKeyOLNSXAZXYZKKHP-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.60
Rot. Bonds3

About N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2,5-difluorobenzamide

N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2,5-difluorobenzamide (PubChem CID 86791283) has the molecular formula C13H12F2N4O and a molecular weight of 278.26 g/mol. Its IUPAC name is N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2,5-difluorobenzamide
PubChem CID86791283
Molecular FormulaC13H12F2N4O
Molecular Weight278.26 g/mol
Exact Mass278.10
IUPAC NameN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2,5-difluorobenzamide
SMILESO=C(Nc1n[nH]c(C2CCC2)n1)c1cc(F)ccc1F
InChIInChI=1S/C13H12F2N4O/c14-8-4-5-10(15)9(6-8)12(20)17-13-16-11(18-19-13)7-2-1-3-7/h4-7H,1-3H2,(H2,16,17,18,19,20)
InChIKeyOLNSXAZXYZKKHP-UHFFFAOYSA-N
XLogP2.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2,5-difluorobenzamide?
The IUPAC name of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2,5-difluorobenzamide (CID 86791283) is N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2,5-difluorobenzamide?
The canonical SMILES for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2,5-difluorobenzamide is O=C(Nc1n[nH]c(C2CCC2)n1)c1cc(F)ccc1F.
What is the InChIKey of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2,5-difluorobenzamide?
The InChIKey is OLNSXAZXYZKKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O/c14-8-4-5-10(15)9(6-8)12(20)17-13-16-11(18-19-13)7-2-1-3-7/h4-7H,1-3H2,(H2,16,17,18,19,20).
What are the key properties of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2,5-difluorobenzamide?
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2,5-difluorobenzamide has a molecular weight of 278.26 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2,5-difluorobenzamide is sourced from PubChem (CID 86791283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).