N-(2,6-dimethyl-3-oxopyridazin-4-yl)prop-2-enamide

C9H11N3O2 — CID 170969674

IUPACN-(2,6-dimethyl-3-oxopyridazin-4-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C)nn(C)c1=O
InChIInChI=1S/C9H11N3O2/c1-4-8(13)10-7-5-6(2)11-12(3)9(7)14/h4-5H,1H2,2-3H3,(H,10,13)
InChIKeyJYDQXJOAMIFUDB-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.21
Rot. Bonds2

About N-(2,6-dimethyl-3-oxopyridazin-4-yl)prop-2-enamide

N-(2,6-dimethyl-3-oxopyridazin-4-yl)prop-2-enamide (PubChem CID 170969674) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-(2,6-dimethyl-3-oxopyridazin-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-3-oxopyridazin-4-yl)prop-2-enamide
PubChem CID170969674
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN-(2,6-dimethyl-3-oxopyridazin-4-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C)nn(C)c1=O
InChIInChI=1S/C9H11N3O2/c1-4-8(13)10-7-5-6(2)11-12(3)9(7)14/h4-5H,1H2,2-3H3,(H,10,13)
InChIKeyJYDQXJOAMIFUDB-UHFFFAOYSA-N
XLogP0.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethyl)-6-methylpyridazin-3(2H)-one
CID 13103485
N,N-dimethyl-2-(3-methyl-6-oxohydropyridazinyl)acetamide
CID 5216526
5-Acetylamino-1-methyl-6-pyridazone
CID 14626616
4-Amino-2,6-dimethyl-3(2H)-pyridazinone
CID 55281972
4-Amino-6-ethyl-2-methylpyridazin-3-one
CID 117127584
4-Amino-6-ethenyl-2-methylpyridazin-3-one
CID 118928700
2-(3-cyano-6-oxopyridazin-1-yl)-N-ethylacetamide
CID 166850859
1-[2-(Ethylamino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 166850861
N-(2,6-dimethyl-3-oxopyridazin-4-yl)propanamide
CID 170388001
N-(2,6-dimethyl-3-oxopyridazin-4-yl)-2-iodoacetamide
CID 170582987
N-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide
CID 170969724
N-(2-methyl-3-oxo-6-propan-2-ylpyridazin-4-yl)prop-2-enamide
CID 170969745

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-3-oxopyridazin-4-yl)prop-2-enamide?
The IUPAC name of N-(2,6-dimethyl-3-oxopyridazin-4-yl)prop-2-enamide (CID 170969674) is N-(2,6-dimethyl-3-oxopyridazin-4-yl)prop-2-enamide.
What is the SMILES notation for N-(2,6-dimethyl-3-oxopyridazin-4-yl)prop-2-enamide?
The canonical SMILES for N-(2,6-dimethyl-3-oxopyridazin-4-yl)prop-2-enamide is C=CC(=O)Nc1cc(C)nn(C)c1=O.
What is the InChIKey of N-(2,6-dimethyl-3-oxopyridazin-4-yl)prop-2-enamide?
The InChIKey is JYDQXJOAMIFUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-4-8(13)10-7-5-6(2)11-12(3)9(7)14/h4-5H,1H2,2-3H3,(H,10,13).
What are the key properties of N-(2,6-dimethyl-3-oxopyridazin-4-yl)prop-2-enamide?
N-(2,6-dimethyl-3-oxopyridazin-4-yl)prop-2-enamide has a molecular weight of 193.21 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-3-oxopyridazin-4-yl)prop-2-enamide is sourced from PubChem (CID 170969674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).