2-amino-N-(6-methylpyridazin-3-yl)benzamide

C12H12N4O — CID 176835878

IUPAC2-amino-N-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2N)nn1
InChIInChI=1S/C12H12N4O/c1-8-6-7-11(16-15-8)14-12(17)9-4-2-3-5-10(9)13/h2-7H,13H2,1H3,(H,14,16,17)
InChIKeyPQOVCQGMSPNADU-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.62
Rot. Bonds2

About 2-amino-N-(6-methylpyridazin-3-yl)benzamide

2-amino-N-(6-methylpyridazin-3-yl)benzamide (PubChem CID 176835878) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-amino-N-(6-methylpyridazin-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-(6-methylpyridazin-3-yl)benzamide
PubChem CID176835878
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name2-amino-N-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2N)nn1
InChIInChI=1S/C12H12N4O/c1-8-6-7-11(16-15-8)14-12(17)9-4-2-3-5-10(9)13/h2-7H,13H2,1H3,(H,14,16,17)
InChIKeyPQOVCQGMSPNADU-UHFFFAOYSA-N
XLogP1.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methylpyridazin-3-yl)-2-nitrobenzamide
CID 176835874
2-amino-N-(5-bromo-2-pyridinyl)benzamide
CID 13348356
2-amino-N-(2-methyl-4-pyridinyl)benzamide
CID 79235729
N'-(2-aminobenzoyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108525721
[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
CID 69256283
2-amino-N-pyridin-4-ylbenzamide
CID 5080262
2-amino-N-(4-chloro-2-pyridinyl)benzamide
CID 103950182
2-chloro-N-(6-methylpyridazin-3-yl)acetamide
CID 166407156
3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 114931712
2-amino-N-pyrimidin-5-ylbenzamide
CID 107587397
2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
2-amino-N-(2-phenylpyrazol-3-yl)benzamide
CID 14638390

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-methylpyridazin-3-yl)benzamide?
The IUPAC name of 2-amino-N-(6-methylpyridazin-3-yl)benzamide (CID 176835878) is 2-amino-N-(6-methylpyridazin-3-yl)benzamide.
What is the SMILES notation for 2-amino-N-(6-methylpyridazin-3-yl)benzamide?
The canonical SMILES for 2-amino-N-(6-methylpyridazin-3-yl)benzamide is Cc1ccc(NC(=O)c2ccccc2N)nn1.
What is the InChIKey of 2-amino-N-(6-methylpyridazin-3-yl)benzamide?
The InChIKey is PQOVCQGMSPNADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-8-6-7-11(16-15-8)14-12(17)9-4-2-3-5-10(9)13/h2-7H,13H2,1H3,(H,14,16,17).
What are the key properties of 2-amino-N-(6-methylpyridazin-3-yl)benzamide?
2-amino-N-(6-methylpyridazin-3-yl)benzamide has a molecular weight of 228.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-methylpyridazin-3-yl)benzamide is sourced from PubChem (CID 176835878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).