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

C8H11N3O2 — CID 43397890

IUPAC6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESC=CCNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C8H11N3O2/c1-2-5-9-8(13)6-3-4-7(12)11-10-6/h2H,1,3-5H2,(H,9,13)(H,11,12)
InChIKeyKHLBOAXSCBSHJD-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.45
Rot. Bonds3

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

6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 43397890) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID43397890
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESC=CCNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C8H11N3O2/c1-2-5-9-8(13)6-3-4-7(12)11-10-6/h2H,1,3-5H2,(H,9,13)(H,11,12)
InChIKeyKHLBOAXSCBSHJD-UHFFFAOYSA-N
XLogP-0.45
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
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-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 43397890) is 6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide is C=CCNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of 6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is KHLBOAXSCBSHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-5-9-8(13)6-3-4-7(12)11-10-6/h2H,1,3-5H2,(H,9,13)(H,11,12).
What are the key properties of 6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43397890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).