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

C11H17N3O2 — CID 43403013

IUPACN-ethyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H17N3O2/c1-4-14(7-8(2)3)11(16)9-5-6-10(15)13-12-9/h2,4-7H2,1,3H3,(H,13,15)
InChIKeyPNBVJKJZDJVZAZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.68
Rot. Bonds4

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

N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 43403013) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID43403013
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H17N3O2/c1-4-14(7-8(2)3)11(16)9-5-6-10(15)13-12-9/h2,4-7H2,1,3H3,(H,13,15)
InChIKeyPNBVJKJZDJVZAZ-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 N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 43403013) is N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is C=C(C)CN(CC)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is PNBVJKJZDJVZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-14(7-8(2)3)11(16)9-5-6-10(15)13-12-9/h2,4-7H2,1,3H3,(H,13,15).
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-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 N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43403013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).