6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide

C14H20N4O — CID 133477090

IUPAC6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCCC2=CCCCCC2)nn1
InChIInChI=1S/C14H20N4O/c15-14(19)12-7-8-13(18-17-12)16-10-9-11-5-3-1-2-4-6-11/h5,7-8H,1-4,6,9-10H2,(H2,15,19)(H,16,18)
InChIKeyVITMAOLFHSBPES-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.27
Rot. Bonds5

About 6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide

6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide (PubChem CID 133477090) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide
PubChem CID133477090
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCCC2=CCCCCC2)nn1
InChIInChI=1S/C14H20N4O/c15-14(19)12-7-8-13(18-17-12)16-10-9-11-5-3-1-2-4-6-11/h5,7-8H,1-4,6,9-10H2,(H2,15,19)(H,16,18)
InChIKeyVITMAOLFHSBPES-UHFFFAOYSA-N
XLogP2.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109113556
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide
CID 113039305
6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109113559
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109113526
1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea
CID 113039355
6-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide
CID 109113587
N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113652
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109113568
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113039330
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109113542
N-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide
CID 109113567
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113039369

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide (CID 133477090) is 6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide is NC(=O)c1ccc(NCCC2=CCCCCC2)nn1.
What is the InChIKey of 6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is VITMAOLFHSBPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-14(19)12-7-8-13(18-17-12)16-10-9-11-5-3-1-2-4-6-11/h5,7-8H,1-4,6,9-10H2,(H2,15,19)(H,16,18).
What are the key properties of 6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide?
6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 133477090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).