3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide

C10H10BrN5O — CID 106597271

IUPAC3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ncn(C)n2)c(Br)c1
InChIInChI=1S/C10H10BrN5O/c1-16-5-14-10(15-16)17-8-3-2-6(9(12)13)4-7(8)11/h2-5H,1H3,(H3,12,13)
InChIKeyDURSQZVADAKKRU-UHFFFAOYSA-N
MW296.13 g/mol
LogP1.65
Rot. Bonds3

About 3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide

3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide (PubChem CID 106597271) has the molecular formula C10H10BrN5O and a molecular weight of 296.13 g/mol. Its IUPAC name is 3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide
PubChem CID106597271
Molecular FormulaC10H10BrN5O
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC Name3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ncn(C)n2)c(Br)c1
InChIInChI=1S/C10H10BrN5O/c1-16-5-14-10(15-16)17-8-3-2-6(9(12)13)4-7(8)11/h2-5H,1H3,(H3,12,13)
InChIKeyDURSQZVADAKKRU-UHFFFAOYSA-N
XLogP1.65
TPSA89.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-(4-methylphenoxy)benzenecarboximidamide
CID 82799325
3-bromo-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 82799225
3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide
CID 82799447
3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
CID 82799228
3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide
CID 82799441
3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide
CID 82799770
3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 82800181
3-bromo-4-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 82798606
3-bromo-4-[3-(2-bromo-4-ethanimidoylphenoxy)propoxy]benzenecarboximidamide
CID 149249864
3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide
CID 82799032
3-bromo-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 82799029
3-bromo-4-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 82787062

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide?
The IUPAC name of 3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide (CID 106597271) is 3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide?
The canonical SMILES for 3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ncn(C)n2)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide?
The InChIKey is DURSQZVADAKKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O/c1-16-5-14-10(15-16)17-8-3-2-6(9(12)13)4-7(8)11/h2-5H,1H3,(H3,12,13).
What are the key properties of 3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide?
3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide has a molecular weight of 296.13 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide is sourced from PubChem (CID 106597271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).