6-oxo-N-propan-2-yl-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide

C11H17N3O2 — CID 60959625

IUPAC6-oxo-N-propan-2-yl-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESC=CCN(C(=O)C1=NNC(=O)CC1)C(C)C
InChIInChI=1S/C11H17N3O2/c1-4-7-14(8(2)3)11(16)9-5-6-10(15)13-12-9/h4,8H,1,5-7H2,2-3H3,(H,13,15)
InChIKeyZVKXJSIZGPTLMD-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.68
Rot. Bonds4

About 6-oxo-N-propan-2-yl-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-propan-2-yl-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60959625) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-oxo-N-propan-2-yl-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-propan-2-yl-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60959625
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-oxo-N-propan-2-yl-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESC=CCN(C(=O)C1=NNC(=O)CC1)C(C)C
InChIInChI=1S/C11H17N3O2/c1-4-7-14(8(2)3)11(16)9-5-6-10(15)13-12-9/h4,8H,1,5-7H2,2-3H3,(H,13,15)
InChIKeyZVKXJSIZGPTLMD-UHFFFAOYSA-N
XLogP0.68
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propan-2-yl-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-propan-2-yl-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60959625) is 6-oxo-N-propan-2-yl-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-propan-2-yl-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-propan-2-yl-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide is C=CCN(C(=O)C1=NNC(=O)CC1)C(C)C.
What is the InChIKey of 6-oxo-N-propan-2-yl-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is ZVKXJSIZGPTLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-7-14(8(2)3)11(16)9-5-6-10(15)13-12-9/h4,8H,1,5-7H2,2-3H3,(H,13,15).
What are the key properties of 6-oxo-N-propan-2-yl-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-propan-2-yl-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-propan-2-yl-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60959625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).