2-amino-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzamide

C10H11N5O2 — CID 106597551

IUPAC2-amino-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzamide
SMILESCn1cnc(Oc2cccc(C(N)=O)c2N)n1
InChIInChI=1S/C10H11N5O2/c1-15-5-13-10(14-15)17-7-4-2-3-6(8(7)11)9(12)16/h2-5H,11H2,1H3,(H2,12,16)
InChIKeyMRSDSFLEXXNKAJ-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.29
Rot. Bonds3

About 2-amino-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzamide

2-amino-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzamide (PubChem CID 106597551) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-amino-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzamide.

Molecular Properties

Compound Name2-amino-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzamide
PubChem CID106597551
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-amino-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzamide
SMILESCn1cnc(Oc2cccc(C(N)=O)c2N)n1
InChIInChI=1S/C10H11N5O2/c1-15-5-13-10(14-15)17-7-4-2-3-6(8(7)11)9(12)16/h2-5H,11H2,1H3,(H2,12,16)
InChIKeyMRSDSFLEXXNKAJ-UHFFFAOYSA-N
XLogP0.29
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzoic acid
CID 106596756
2-amino-3-ethoxybenzamide
CID 70121071
2-amino-3-(3,3-dimethylbutoxy)benzamide
CID 115547344
2-amino-3-(3,4-dimethylphenoxy)benzamide
CID 115546944
2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide
CID 106597229
2-amino-3-(3,4-difluorophenoxy)benzamide
CID 113333318
2-amino-3-(4-cyanophenoxy)benzamide
CID 115546962
2-amino-3-[3-(methoxymethyl)phenoxy]benzamide
CID 115547294
2-amino-3-(2-methylbutan-2-yloxy)benzamide
CID 115547085
2-amino-3-(3-cyanophenoxy)benzamide
CID 113333275
2-amino-3-(4,4,4-trifluorobutoxy)benzamide
CID 82787642
2-(4-amino-1-methyl-3-propylpyrazol-5-yl)oxybenzamide
CID 66017755

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzamide?
The IUPAC name of 2-amino-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzamide (CID 106597551) is 2-amino-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzamide.
What is the SMILES notation for 2-amino-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzamide?
The canonical SMILES for 2-amino-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzamide is Cn1cnc(Oc2cccc(C(N)=O)c2N)n1.
What is the InChIKey of 2-amino-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzamide?
The InChIKey is MRSDSFLEXXNKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-15-5-13-10(14-15)17-7-4-2-3-6(8(7)11)9(12)16/h2-5H,11H2,1H3,(H2,12,16).
What are the key properties of 2-amino-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzamide?
2-amino-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzamide has a molecular weight of 233.23 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzamide is sourced from PubChem (CID 106597551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).