2,2-dimethyl-N-pyridazin-4-ylpropanamide

C9H13N3O — CID 10012501

IUPAC2,2-dimethyl-N-pyridazin-4-ylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccnnc1
InChIInChI=1S/C9H13N3O/c1-9(2,3)8(13)12-7-4-5-10-11-6-7/h4-6H,1-3H3,(H,10,12,13)
InChIKeyFWLASZYBEVATLJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.46
Rot. Bonds1

About 2,2-dimethyl-N-pyridazin-4-ylpropanamide

2,2-dimethyl-N-pyridazin-4-ylpropanamide (PubChem CID 10012501) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2,2-dimethyl-N-pyridazin-4-ylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-pyridazin-4-ylpropanamide
PubChem CID10012501
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2,2-dimethyl-N-pyridazin-4-ylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccnnc1
InChIInChI=1S/C9H13N3O/c1-9(2,3)8(13)12-7-4-5-10-11-6-7/h4-6H,1-3H3,(H,10,12,13)
InChIKeyFWLASZYBEVATLJ-UHFFFAOYSA-N
XLogP1.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methylpyridazin-4-amine
CID 23080684
N-ethylpyridazin-4-amine
CID 68802730
N-pyridazin-5-ylformamide
CID 14651321
methyl N-[(2S)-3-methyl-1-oxo-1-(pyridazin-4-ylamino)butan-2-yl]carbamate
CID 126828027
4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide
CID 151047488
2-oxo-N-pyridazin-4-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 178739854
N-4-Pyridazinylacetamide
CID 23273413
tert-butyl N-(6-fluoropyridazin-4-yl)carbamate
CID 165748683
4-(Boc-amino)pyridazine
CID 10375406
N-(4-pyridazinyl)-N'-(1-methylethyl)urea
CID 14099145
1-Ethyl-3-pyridazin-4-ylurea
CID 20150032
1-Tert-butyl-3-pyridazin-4-ylurea
CID 20150033

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-pyridazin-4-ylpropanamide?
The IUPAC name of 2,2-dimethyl-N-pyridazin-4-ylpropanamide (CID 10012501) is 2,2-dimethyl-N-pyridazin-4-ylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-pyridazin-4-ylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-pyridazin-4-ylpropanamide is CC(C)(C)C(=O)Nc1ccnnc1.
What is the InChIKey of 2,2-dimethyl-N-pyridazin-4-ylpropanamide?
The InChIKey is FWLASZYBEVATLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-9(2,3)8(13)12-7-4-5-10-11-6-7/h4-6H,1-3H3,(H,10,12,13).
What are the key properties of 2,2-dimethyl-N-pyridazin-4-ylpropanamide?
2,2-dimethyl-N-pyridazin-4-ylpropanamide has a molecular weight of 179.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-pyridazin-4-ylpropanamide is sourced from PubChem (CID 10012501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).