methyl (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoate

C15H23N3O3 — CID 114394051

IUPACmethyl (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoate
SMILESCC/C(=C/Cn1ncc(N(CC)CC)cc1=O)C(=O)OC
InChIInChI=1S/C15H23N3O3/c1-5-12(15(20)21-4)8-9-18-14(19)10-13(11-16-18)17(6-2)7-3/h8,10-11H,5-7,9H2,1-4H3/b12-8-
InChIKeySBMQNOOCWHUPJX-WQLSENKSSA-N
MW293.37 g/mol
LogP1.60
Rot. Bonds7

About methyl (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoate

methyl (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoate (PubChem CID 114394051) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoate
PubChem CID114394051
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoate
SMILESCC/C(=C/Cn1ncc(N(CC)CC)cc1=O)C(=O)OC
InChIInChI=1S/C15H23N3O3/c1-5-12(15(20)21-4)8-9-18-14(19)10-13(11-16-18)17(6-2)7-3/h8,10-11H,5-7,9H2,1-4H3/b12-8-
InChIKeySBMQNOOCWHUPJX-WQLSENKSSA-N
XLogP1.60
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoate?
The IUPAC name of methyl (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoate (CID 114394051) is methyl (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoate.
What is the SMILES notation for methyl (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoate?
The canonical SMILES for methyl (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoate is CC/C(=C/Cn1ncc(N(CC)CC)cc1=O)C(=O)OC.
What is the InChIKey of methyl (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoate?
The InChIKey is SBMQNOOCWHUPJX-WQLSENKSSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-12(15(20)21-4)8-9-18-14(19)10-13(11-16-18)17(6-2)7-3/h8,10-11H,5-7,9H2,1-4H3/b12-8-.
What are the key properties of methyl (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoate?
methyl (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoate has a molecular weight of 293.37 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoate is sourced from PubChem (CID 114394051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).