2-methyl-N-pyridazin-3-ylbenzamide

C12H11N3O — CID 118707923

IUPAC2-methyl-N-pyridazin-3-ylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccnn1
InChIInChI=1S/C12H11N3O/c1-9-5-2-3-6-10(9)12(16)14-11-7-4-8-13-15-11/h2-8H,1H3,(H,14,15,16)
InChIKeyMOLKFIYCAHUTLT-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.04
Rot. Bonds2

About 2-methyl-N-pyridazin-3-ylbenzamide

2-methyl-N-pyridazin-3-ylbenzamide (PubChem CID 118707923) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-methyl-N-pyridazin-3-ylbenzamide.

Molecular Properties

Compound Name2-methyl-N-pyridazin-3-ylbenzamide
PubChem CID118707923
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name2-methyl-N-pyridazin-3-ylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccnn1
InChIInChI=1S/C12H11N3O/c1-9-5-2-3-6-10(9)12(16)14-11-7-4-8-13-15-11/h2-8H,1H3,(H,14,15,16)
InChIKeyMOLKFIYCAHUTLT-UHFFFAOYSA-N
XLogP2.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyridazin-3-ylbenzamide?
The IUPAC name of 2-methyl-N-pyridazin-3-ylbenzamide (CID 118707923) is 2-methyl-N-pyridazin-3-ylbenzamide.
What is the SMILES notation for 2-methyl-N-pyridazin-3-ylbenzamide?
The canonical SMILES for 2-methyl-N-pyridazin-3-ylbenzamide is Cc1ccccc1C(=O)Nc1cccnn1.
What is the InChIKey of 2-methyl-N-pyridazin-3-ylbenzamide?
The InChIKey is MOLKFIYCAHUTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-9-5-2-3-6-10(9)12(16)14-11-7-4-8-13-15-11/h2-8H,1H3,(H,14,15,16).
What are the key properties of 2-methyl-N-pyridazin-3-ylbenzamide?
2-methyl-N-pyridazin-3-ylbenzamide has a molecular weight of 213.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyridazin-3-ylbenzamide is sourced from PubChem (CID 118707923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).