N-(6-chloro-5-formylpyridazin-3-yl)-2,2-dimethylpropanamide

C10H12ClN3O2 — CID 154642721

IUPACN-(6-chloro-5-formylpyridazin-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(C=O)c(Cl)nn1
InChIInChI=1S/C10H12ClN3O2/c1-10(2,3)9(16)12-7-4-6(5-15)8(11)14-13-7/h4-5H,1-3H3,(H,12,13,16)
InChIKeyVQBLHCUWNFFUGD-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.93
Rot. Bonds2

About N-(6-chloro-5-formylpyridazin-3-yl)-2,2-dimethylpropanamide

N-(6-chloro-5-formylpyridazin-3-yl)-2,2-dimethylpropanamide (PubChem CID 154642721) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is N-(6-chloro-5-formylpyridazin-3-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(6-chloro-5-formylpyridazin-3-yl)-2,2-dimethylpropanamide
PubChem CID154642721
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC NameN-(6-chloro-5-formylpyridazin-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(C=O)c(Cl)nn1
InChIInChI=1S/C10H12ClN3O2/c1-10(2,3)9(16)12-7-4-6(5-15)8(11)14-13-7/h4-5H,1-3H3,(H,12,13,16)
InChIKeyVQBLHCUWNFFUGD-UHFFFAOYSA-N
XLogP1.93
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-formylpyridazin-3-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(6-chloro-5-formylpyridazin-3-yl)-2,2-dimethylpropanamide (CID 154642721) is N-(6-chloro-5-formylpyridazin-3-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(6-chloro-5-formylpyridazin-3-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(6-chloro-5-formylpyridazin-3-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(C=O)c(Cl)nn1.
What is the InChIKey of N-(6-chloro-5-formylpyridazin-3-yl)-2,2-dimethylpropanamide?
The InChIKey is VQBLHCUWNFFUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-10(2,3)9(16)12-7-4-6(5-15)8(11)14-13-7/h4-5H,1-3H3,(H,12,13,16).
What are the key properties of N-(6-chloro-5-formylpyridazin-3-yl)-2,2-dimethylpropanamide?
N-(6-chloro-5-formylpyridazin-3-yl)-2,2-dimethylpropanamide has a molecular weight of 241.68 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-formylpyridazin-3-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 154642721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).