N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide

C14H19N3O2 — CID 31327718

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCC2=CCCCC2)ccc1=O
InChIInChI=1S/C14H19N3O2/c1-17-13(18)8-7-12(16-17)14(19)15-10-9-11-5-3-2-4-6-11/h5,7-8H,2-4,6,9-10H2,1H3,(H,15,19)
InChIKeyYRJKZVDJXAVVIK-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.40
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 31327718) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID31327718
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCC2=CCCCC2)ccc1=O
InChIInChI=1S/C14H19N3O2/c1-17-13(18)8-7-12(16-17)14(19)15-10-9-11-5-3-2-4-6-11/h5,7-8H,2-4,6,9-10H2,1H3,(H,15,19)
InChIKeyYRJKZVDJXAVVIK-UHFFFAOYSA-N
XLogP1.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 2574206
CID 2574206
CID 2541694
CID 2541694
CID 145875385
CID 145875385
CID 34742195
CID 34742195
CID 92128076
CID 92128076
CID 163453782
CID 163453782
CID 163508369
CID 163508369
CID 163761359
CID 163761359
CID 163837087
CID 163837087
CID 163924526
CID 163924526
CID 163958588
CID 163958588
CID 164021717
CID 164021717

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 31327718) is N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCCC2=CCCCC2)ccc1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is YRJKZVDJXAVVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17-13(18)8-7-12(16-17)14(19)15-10-9-11-5-3-2-4-6-11/h5,7-8H,2-4,6,9-10H2,1H3,(H,15,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 31327718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).