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

C11H11N5O — CID 114389471

IUPAC2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
SMILESCNc1ccccc1C(=O)Nc1nccnn1
InChIInChI=1S/C11H11N5O/c1-12-9-5-3-2-4-8(9)10(17)15-11-13-6-7-14-16-11/h2-7,12H,1H3,(H,13,15,16,17)
InChIKeyZVSZKQWYSXLUTO-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.17
Rot. Bonds3

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

2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide (PubChem CID 114389471) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
PubChem CID114389471
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
SMILESCNc1ccccc1C(=O)Nc1nccnn1
InChIInChI=1S/C11H11N5O/c1-12-9-5-3-2-4-8(9)10(17)15-11-13-6-7-14-16-11/h2-7,12H,1H3,(H,13,15,16,17)
InChIKeyZVSZKQWYSXLUTO-UHFFFAOYSA-N
XLogP1.17
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide 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

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-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114386754
6-(methylamino)-N-(1,2,4-triazin-3-yl)pyridazine-3-carboxamide
CID 114389495
4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389539
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
N-(1H-imidazol-2-yl)-2-(methylamino)benzamide
CID 63563761
N-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 114387729
2-[[2-(methylamino)benzoyl]amino]benzoic acid
CID 12819847
4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114387340
2-bromo-3-nitro-N-(1,2,4-triazin-3-yl)benzamide
CID 114387365
4-hydrazinyl-6-methyl-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide
CID 114389592

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide?
The IUPAC name of 2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide (CID 114389471) is 2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide.
What is the SMILES notation for 2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide?
The canonical SMILES for 2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide is CNc1ccccc1C(=O)Nc1nccnn1.
What is the InChIKey of 2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide?
The InChIKey is ZVSZKQWYSXLUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-12-9-5-3-2-4-8(9)10(17)15-11-13-6-7-14-16-11/h2-7,12H,1H3,(H,13,15,16,17).
What are the key properties of 2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide?
2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide has a molecular weight of 229.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide is sourced from PubChem (CID 114389471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).