4-nitroso-N-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide

C16H10F3N5O3 — CID 126676229

IUPAC4-nitroso-N-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide
SMILESO=Nc1ccc(C(=O)Nc2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C16H10F3N5O3/c17-16(18,19)27-13-7-5-12(6-8-13)24-9-20-15(22-24)21-14(25)10-1-3-11(23-26)4-2-10/h1-9H,(H,21,22,25)
InChIKeyJPAQJAIZIBLGLN-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.82
Rot. Bonds5

About 4-nitroso-N-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide

4-nitroso-N-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide (PubChem CID 126676229) has the molecular formula C16H10F3N5O3 and a molecular weight of 377.28 g/mol. Its IUPAC name is 4-nitroso-N-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name4-nitroso-N-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide
PubChem CID126676229
Molecular FormulaC16H10F3N5O3
Molecular Weight377.28 g/mol
Exact Mass377.07
IUPAC Name4-nitroso-N-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide
SMILESO=Nc1ccc(C(=O)Nc2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C16H10F3N5O3/c17-16(18,19)27-13-7-5-12(6-8-13)24-9-20-15(22-24)21-14(25)10-1-3-11(23-26)4-2-10/h1-9H,(H,21,22,25)
InChIKeyJPAQJAIZIBLGLN-UHFFFAOYSA-N
XLogP3.82
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-nitroso-N-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 4-nitroso-N-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide (CID 126676229) is 4-nitroso-N-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 4-nitroso-N-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 4-nitroso-N-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide is O=Nc1ccc(C(=O)Nc2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 4-nitroso-N-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide?
The InChIKey is JPAQJAIZIBLGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O3/c17-16(18,19)27-13-7-5-12(6-8-13)24-9-20-15(22-24)21-14(25)10-1-3-11(23-26)4-2-10/h1-9H,(H,21,22,25).
What are the key properties of 4-nitroso-N-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide?
4-nitroso-N-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide has a molecular weight of 377.28 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroso-N-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 126676229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).