N-(2-methyl-3-oxo-6-propan-2-ylpyridazin-4-yl)prop-2-enamide

C11H15N3O2 — CID 170969745

IUPACN-(2-methyl-3-oxo-6-propan-2-ylpyridazin-4-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C(C)C)nn(C)c1=O
InChIInChI=1S/C11H15N3O2/c1-5-10(15)12-9-6-8(7(2)3)13-14(4)11(9)16/h5-7H,1H2,2-4H3,(H,12,15)
InChIKeyKUAMLYPYFHBFJU-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.03
Rot. Bonds3

About N-(2-methyl-3-oxo-6-propan-2-ylpyridazin-4-yl)prop-2-enamide

N-(2-methyl-3-oxo-6-propan-2-ylpyridazin-4-yl)prop-2-enamide (PubChem CID 170969745) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-6-propan-2-ylpyridazin-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-6-propan-2-ylpyridazin-4-yl)prop-2-enamide
PubChem CID170969745
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(2-methyl-3-oxo-6-propan-2-ylpyridazin-4-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C(C)C)nn(C)c1=O
InChIInChI=1S/C11H15N3O2/c1-5-10(15)12-9-6-8(7(2)3)13-14(4)11(9)16/h5-7H,1H2,2-4H3,(H,12,15)
InChIKeyKUAMLYPYFHBFJU-UHFFFAOYSA-N
XLogP1.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.03
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-6-propan-2-ylpyridazin-4-yl)prop-2-enamide?
The IUPAC name of N-(2-methyl-3-oxo-6-propan-2-ylpyridazin-4-yl)prop-2-enamide (CID 170969745) is N-(2-methyl-3-oxo-6-propan-2-ylpyridazin-4-yl)prop-2-enamide.
What is the SMILES notation for N-(2-methyl-3-oxo-6-propan-2-ylpyridazin-4-yl)prop-2-enamide?
The canonical SMILES for N-(2-methyl-3-oxo-6-propan-2-ylpyridazin-4-yl)prop-2-enamide is C=CC(=O)Nc1cc(C(C)C)nn(C)c1=O.
What is the InChIKey of N-(2-methyl-3-oxo-6-propan-2-ylpyridazin-4-yl)prop-2-enamide?
The InChIKey is KUAMLYPYFHBFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-5-10(15)12-9-6-8(7(2)3)13-14(4)11(9)16/h5-7H,1H2,2-4H3,(H,12,15).
What are the key properties of N-(2-methyl-3-oxo-6-propan-2-ylpyridazin-4-yl)prop-2-enamide?
N-(2-methyl-3-oxo-6-propan-2-ylpyridazin-4-yl)prop-2-enamide has a molecular weight of 221.26 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxo-6-propan-2-ylpyridazin-4-yl)prop-2-enamide is sourced from PubChem (CID 170969745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).