N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide

C11H15N3O2 — CID 115769401

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide
SMILESC=C(C)COCCNC(=O)c1ccnnc1
InChIInChI=1S/C11H15N3O2/c1-9(2)8-16-6-5-12-11(15)10-3-4-13-14-7-10/h3-4,7H,1,5-6,8H2,2H3,(H,12,15)
InChIKeyGELJTWMNXDFFDH-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.80
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide

N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide (PubChem CID 115769401) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide
PubChem CID115769401
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide
SMILESC=C(C)COCCNC(=O)c1ccnnc1
InChIInChI=1S/C11H15N3O2/c1-9(2)8-16-6-5-12-11(15)10-3-4-13-14-7-10/h3-4,7H,1,5-6,8H2,2H3,(H,12,15)
InChIKeyGELJTWMNXDFFDH-UHFFFAOYSA-N
XLogP0.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)pyridazine-4-carboxamide
CID 143705997
1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide
CID 115700182
4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699892
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 115700228
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699494
3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide
CID 107519429
N-(4-hydroxybutyl)pyridazine-4-carboxamide
CID 106843632
4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699973
3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699714
N-(2-sulfamoylethyl)pyridazine-4-carboxamide
CID 115769360
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide
CID 114469543
4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699642

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide (CID 115769401) is N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide is C=C(C)COCCNC(=O)c1ccnnc1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide?
The InChIKey is GELJTWMNXDFFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-9(2)8-16-6-5-12-11(15)10-3-4-13-14-7-10/h3-4,7H,1,5-6,8H2,2H3,(H,12,15).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide?
N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 115769401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).