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

C11H13N5O2 — CID 106956246

IUPAC5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide
SMILESCn1ncnc1COc1ccc(N)cc1C(N)=O
InChIInChI=1S/C11H13N5O2/c1-16-10(14-6-15-16)5-18-9-3-2-7(12)4-8(9)11(13)17/h2-4,6H,5,12H2,1H3,(H2,13,17)
InChIKeyHSZRODUZKBWJAO-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.08
Rot. Bonds4

About 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide

5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide (PubChem CID 106956246) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound Name5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide
PubChem CID106956246
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide
SMILESCn1ncnc1COc1ccc(N)cc1C(N)=O
InChIInChI=1S/C11H13N5O2/c1-16-10(14-6-15-16)5-18-9-3-2-7(12)4-8(9)11(13)17/h2-4,6H,5,12H2,1H3,(H2,13,17)
InChIKeyHSZRODUZKBWJAO-UHFFFAOYSA-N
XLogP0.08
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.08
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

5-amino-2-butoxybenzamide
CID 61305277
4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenecarbothioamide
CID 107656207
5-amino-2-[(2,5-dimethylphenyl)methoxy]benzamide
CID 106956236
2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoic acid
CID 82826501
5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide
CID 106956243
5-amino-2-(3-amino-3-oxopropoxy)benzamide
CID 106956094
5-amino-2-(2-methoxypropoxy)benzamide
CID 106956252
methyl 4-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzoate
CID 106955064
2-[5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 107700337
5-amino-2-(2,2,2-trifluoroethoxy)benzamide
CID 61312859
5-amino-2-(3-methylsulfonylpropoxy)benzamide
CID 106956095
(E)-3-[5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]prop-2-enoic acid
CID 107699544

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide?
The IUPAC name of 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide (CID 106956246) is 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide.
What is the SMILES notation for 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide?
The canonical SMILES for 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide is Cn1ncnc1COc1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide?
The InChIKey is HSZRODUZKBWJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-16-10(14-6-15-16)5-18-9-3-2-7(12)4-8(9)11(13)17/h2-4,6H,5,12H2,1H3,(H2,13,17).
What are the key properties of 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide?
5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide has a molecular weight of 247.26 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 106956246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).