N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

C13H17N3O2 — CID 34742195

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H17N3O2/c17-12-7-6-11(15-16-12)13(18)14-9-8-10-4-2-1-3-5-10/h4,6-7H,1-3,5,8-9H2,(H,14,18)(H,16,17)
InChIKeyGPYGHUKTPMNSJU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.39
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 34742195) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID34742195
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H17N3O2/c17-12-7-6-11(15-16-12)13(18)14-9-8-10-4-2-1-3-5-10/h4,6-7H,1-3,5,8-9H2,(H,14,18)(H,16,17)
InChIKeyGPYGHUKTPMNSJU-UHFFFAOYSA-N
XLogP1.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.39
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-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 34742195) is N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCCC1=CCCCC1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is GPYGHUKTPMNSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-12-7-6-11(15-16-12)13(18)14-9-8-10-4-2-1-3-5-10/h4,6-7H,1-3,5,8-9H2,(H,14,18)(H,16,17).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 34742195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).