N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide

C13H14BrFN4O — CID 107593512

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)Nc2cc(Br)c(F)cc2C)n[nH]1
InChIInChI=1S/C13H14BrFN4O/c1-3-4-11-17-12(19-18-11)13(20)16-10-6-8(14)9(15)5-7(10)2/h5-6H,3-4H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyOHYMLNXJOKMLLZ-UHFFFAOYSA-N
MW341.18 g/mol
LogP3.22
Rot. Bonds4

About N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide

N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 107593512) has the molecular formula C13H14BrFN4O and a molecular weight of 341.18 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID107593512
Molecular FormulaC13H14BrFN4O
Molecular Weight341.18 g/mol
Exact Mass340.03
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)Nc2cc(Br)c(F)cc2C)n[nH]1
InChIInChI=1S/C13H14BrFN4O/c1-3-4-11-17-12(19-18-11)13(20)16-10-6-8(14)9(15)5-7(10)2/h5-6H,3-4H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyOHYMLNXJOKMLLZ-UHFFFAOYSA-N
XLogP3.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103274927
N-(4-bromo-3-methoxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 82861102
N-(4-ethyl-1H-pyrazol-5-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 104621207
N-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 114256390
N-(3-bromo-2-methylphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 107629541
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide
CID 107593919
N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
CID 107592544
N-(3-fluoro-5-nitrophenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 107335528
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea
CID 103274772
N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide
CID 106551752
3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide
CID 107592505
N-(2,5-difluoro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 103587049

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide (CID 107593512) is N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide is CCCc1nc(C(=O)Nc2cc(Br)c(F)cc2C)n[nH]1.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is OHYMLNXJOKMLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4O/c1-3-4-11-17-12(19-18-11)13(20)16-10-6-8(14)9(15)5-7(10)2/h5-6H,3-4H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 341.18 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 107593512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).