2-amino-N-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid

C15H15F3N6O4 — CID 175969064

IUPAC2-amino-N-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid
SMILESNCC(=O)Nc1ccc(/N=N/c2ccccc2O)c(N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H14N6O2.C2HF3O2/c14-7-12(21)16-11-6-5-9(13(15)17-11)19-18-8-3-1-2-4-10(8)20;3-2(4,5)1(6)7/h1-6,20H,7,14H2,(H3,15,16,17,21);(H,6,7)/b19-18+;
InChIKeyHSKXHUMAEVTOFL-LTRPLHCISA-N
MW400.32 g/mol
LogP2.32
Rot. Bonds4

About 2-amino-N-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid

2-amino-N-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 175969064) has the molecular formula C15H15F3N6O4 and a molecular weight of 400.32 g/mol. Its IUPAC name is 2-amino-N-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-N-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID175969064
Molecular FormulaC15H15F3N6O4
Molecular Weight400.32 g/mol
Exact Mass400.11
IUPAC Name2-amino-N-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid
SMILESNCC(=O)Nc1ccc(/N=N/c2ccccc2O)c(N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H14N6O2.C2HF3O2/c14-7-12(21)16-11-6-5-9(13(15)17-11)19-18-8-3-1-2-4-10(8)20;3-2(4,5)1(6)7/h1-6,20H,7,14H2,(H3,15,16,17,21);(H,6,7)/b19-18+;
InChIKeyHSKXHUMAEVTOFL-LTRPLHCISA-N
XLogP2.32
TPSA176.28 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 52.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-N-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid (CID 175969064) is 2-amino-N-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-N-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-N-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid is NCC(=O)Nc1ccc(/N=N/c2ccccc2O)c(N)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-N-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is HSKXHUMAEVTOFL-LTRPLHCISA-N. The full InChI is InChI=1S/C13H14N6O2.C2HF3O2/c14-7-12(21)16-11-6-5-9(13(15)17-11)19-18-8-3-1-2-4-10(8)20;3-2(4,5)1(6)7/h1-6,20H,7,14H2,(H3,15,16,17,21);(H,6,7)/b19-18+;.
What are the key properties of 2-amino-N-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid?
2-amino-N-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 400.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175969064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).