N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide

C11H10BrN5O2 — CID 948134

IUPACN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NN=Cc1cc(Br)ccc1O
InChIInChI=1S/C11H10BrN5O2/c12-9-1-2-10(18)8(3-9)4-14-16-11(19)5-17-7-13-6-15-17/h1-4,6-7,18H,5H2,(H,16,19)
InChIKeyOFQWDOXQCHNPFO-UHFFFAOYSA-N
MW324.14 g/mol
LogP0.90
Rot. Bonds4

About N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 948134) has the molecular formula C11H10BrN5O2 and a molecular weight of 324.14 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID948134
Molecular FormulaC11H10BrN5O2
Molecular Weight324.14 g/mol
Exact Mass323.00
IUPAC NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NN=Cc1cc(Br)ccc1O
InChIInChI=1S/C11H10BrN5O2/c12-9-1-2-10(18)8(3-9)4-14-16-11(19)5-17-7-13-6-15-17/h1-4,6-7,18H,5H2,(H,16,19)
InChIKeyOFQWDOXQCHNPFO-UHFFFAOYSA-N
XLogP0.90
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide (CID 948134) is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NN=Cc1cc(Br)ccc1O.
What is the InChIKey of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is OFQWDOXQCHNPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O2/c12-9-1-2-10(18)8(3-9)4-14-16-11(19)5-17-7-13-6-15-17/h1-4,6-7,18H,5H2,(H,16,19).
What are the key properties of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 324.14 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 948134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).