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

C11H15N3O2 — CID 43397857

IUPAC6-oxo-N,N-bis(prop-2-enyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H15N3O2/c1-3-7-14(8-4-2)11(16)9-5-6-10(15)13-12-9/h3-4H,1-2,5-8H2,(H,13,15)
InChIKeyGCNJCEQYRPNIOR-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.45
Rot. Bonds5

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

6-oxo-N,N-bis(prop-2-enyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 43397857) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-oxo-N,N-bis(prop-2-enyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N,N-bis(prop-2-enyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID43397857
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name6-oxo-N,N-bis(prop-2-enyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H15N3O2/c1-3-7-14(8-4-2)11(16)9-5-6-10(15)13-12-9/h3-4H,1-2,5-8H2,(H,13,15)
InChIKeyGCNJCEQYRPNIOR-UHFFFAOYSA-N
XLogP0.45
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-oxo-N,N-bis(prop-2-enyl)-4,5-dihydro-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

1-methyl-6-oxo-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide
CID 133600407
(3E)-3-(2-pentanoylhydrazinylidene)-N-(prop-2-en-1-yl)butanamide
CID 17369167
N-[(Z)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]pentanamide
CID 40523696
N,N-diethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397845
6-oxo-N,N-dipropyl-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397852
6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397890
N-butyl-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397953
N,N-dibutyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43398600
N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43403013
N-methyl-6-oxo-N-propan-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43420533
N-butyl-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43420661
N-ethyl-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43420939

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N,N-bis(prop-2-enyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N,N-bis(prop-2-enyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 43397857) is 6-oxo-N,N-bis(prop-2-enyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N,N-bis(prop-2-enyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N,N-bis(prop-2-enyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is C=CCN(CC=C)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of 6-oxo-N,N-bis(prop-2-enyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is GCNJCEQYRPNIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-7-14(8-4-2)11(16)9-5-6-10(15)13-12-9/h3-4H,1-2,5-8H2,(H,13,15).
What are the key properties of 6-oxo-N,N-bis(prop-2-enyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N,N-bis(prop-2-enyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N,N-bis(prop-2-enyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43397857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).