2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide

C11H11N5O — CID 114386754

IUPAC2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2nccnn2)c1N
InChIInChI=1S/C11H11N5O/c1-7-3-2-4-8(9(7)12)10(17)15-11-13-5-6-14-16-11/h2-6H,12H2,1H3,(H,13,15,16,17)
InChIKeyZQKVCTYUUHQOTG-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.01
Rot. Bonds2

About 2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide

2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide (PubChem CID 114386754) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
PubChem CID114386754
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2nccnn2)c1N
InChIInChI=1S/C11H11N5O/c1-7-3-2-4-8(9(7)12)10(17)15-11-13-5-6-14-16-11/h2-6H,12H2,1H3,(H,13,15,16,17)
InChIKeyZQKVCTYUUHQOTG-UHFFFAOYSA-N
XLogP1.01
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114388216
2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114387337
2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389471
2-amino-3-methyl-N-pyrazin-2-ylbenzamide
CID 43616017
4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114387340
2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
CID 105387673
2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894585
2-amino-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 65468476
2-bromo-3-nitro-N-(1,2,4-triazin-3-yl)benzamide
CID 114387365
2-methyl-N-(4-methylpyrimidin-2-yl)benzamide
CID 132962288
2-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977715
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 65488700

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide?
The IUPAC name of 2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide (CID 114386754) is 2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide.
What is the SMILES notation for 2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide?
The canonical SMILES for 2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide is Cc1cccc(C(=O)Nc2nccnn2)c1N.
What is the InChIKey of 2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide?
The InChIKey is ZQKVCTYUUHQOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-7-3-2-4-8(9(7)12)10(17)15-11-13-5-6-14-16-11/h2-6H,12H2,1H3,(H,13,15,16,17).
What are the key properties of 2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide?
2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide has a molecular weight of 229.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide is sourced from PubChem (CID 114386754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).