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

C10H15N3O2 — CID 103528079

IUPACN-(3-methylbut-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)=CCNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H15N3O2/c1-7(2)5-6-11-10(15)8-3-4-9(14)13-12-8/h5H,3-4,6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyCFKPPHZRKADDHQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.33
Rot. Bonds3

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

N-(3-methylbut-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 103528079) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID103528079
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(3-methylbut-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)=CCNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H15N3O2/c1-7(2)5-6-11-10(15)8-3-4-9(14)13-12-8/h5H,3-4,6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyCFKPPHZRKADDHQ-UHFFFAOYSA-N
XLogP0.33
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.33
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 N-(3-methylbut-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3-methylbut-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 103528079) is N-(3-methylbut-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methylbut-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3-methylbut-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(C)=CCNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(3-methylbut-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is CFKPPHZRKADDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)5-6-11-10(15)8-3-4-9(14)13-12-8/h5H,3-4,6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of N-(3-methylbut-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(3-methylbut-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103528079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).