N-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide

C8H10N4O2 — CID 170969724

IUPACN-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(N)nn(C)c1=O
InChIInChI=1S/C8H10N4O2/c1-3-7(13)10-5-4-6(9)11-12(2)8(5)14/h3-4H,1H2,2H3,(H2,9,11)(H,10,13)
InChIKeyZPTXUMWIHMHVJD-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.51
Rot. Bonds2

About N-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide

N-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide (PubChem CID 170969724) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide
PubChem CID170969724
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC NameN-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(N)nn(C)c1=O
InChIInChI=1S/C8H10N4O2/c1-3-7(13)10-5-4-6(9)11-12(2)8(5)14/h3-4H,1H2,2H3,(H2,9,11)(H,10,13)
InChIKeyZPTXUMWIHMHVJD-UHFFFAOYSA-N
XLogP-0.51
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Acetylamino-1-methyl-6-pyridazone
CID 14626616
N-(2-methyl-3-oxopyridazin-4-yl)propanamide
CID 14626617
2-(3-Amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium
CID 168824389
N-(2,6-dimethyl-3-oxopyridazin-4-yl)prop-2-enamide
CID 170969674
N-(3-amino-6-oxo-1H-pyridazin-5-yl)acetamide
CID 15369454
2-(3-amino-6-oxopyridazin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 113564083
2-(3-amino-6-oxopyridazin-1-yl)-N-methylacetamide
CID 116788155
2-(3-amino-6-oxopyridazin-1-yl)-N-(cyanomethyl)acetamide
CID 116788161
2-(3-amino-6-oxopyridazin-1-yl)-N-tert-butylacetamide
CID 116788196
2-(3-amino-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 116788226
2-(3-amino-6-oxopyridazin-1-yl)-N-cyclopropylacetamide
CID 116788228
2-(3-Amino-6-oxopyridazin-1-yl)butanamide
CID 116788244

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide?
The IUPAC name of N-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide (CID 170969724) is N-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide.
What is the SMILES notation for N-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide?
The canonical SMILES for N-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide is C=CC(=O)Nc1cc(N)nn(C)c1=O.
What is the InChIKey of N-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide?
The InChIKey is ZPTXUMWIHMHVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-3-7(13)10-5-4-6(9)11-12(2)8(5)14/h3-4H,1H2,2H3,(H2,9,11)(H,10,13).
What are the key properties of N-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide?
N-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide has a molecular weight of 194.19 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide is sourced from PubChem (CID 170969724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).