3-[(1E)-1-[(2Z)-2-(1-methoxyethylidene)-6-propan-2-yl-3-pyridinylidene]ethyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C18H25N3O2 — CID 163719766

IUPAC3-[(1E)-1-[(2Z)-2-(1-methoxyethylidene)-6-propan-2-yl-3-pyridinylidene]ethyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCO/C(C)=c1\nc(C(C)C)cc\c1=C(\C)C1=NNC(=O)CC1C
InChIInChI=1S/C18H25N3O2/c1-10(2)15-8-7-14(18(19-15)13(5)23-6)12(4)17-11(3)9-16(22)20-21-17/h7-8,10-11H,9H2,1-6H3,(H,20,22)/b14-12+,18-13-
InChIKeyKQNIQVTUPQRBDA-COVZNBLNSA-N
MW315.42 g/mol
LogP1.66
Rot. Bonds3

About 3-[(1E)-1-[(2Z)-2-(1-methoxyethylidene)-6-propan-2-yl-3-pyridinylidene]ethyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-[(1E)-1-[(2Z)-2-(1-methoxyethylidene)-6-propan-2-yl-3-pyridinylidene]ethyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 163719766) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[(1E)-1-[(2Z)-2-(1-methoxyethylidene)-6-propan-2-yl-3-pyridinylidene]ethyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(1E)-1-[(2Z)-2-(1-methoxyethylidene)-6-propan-2-yl-3-pyridinylidene]ethyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID163719766
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[(1E)-1-[(2Z)-2-(1-methoxyethylidene)-6-propan-2-yl-3-pyridinylidene]ethyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCO/C(C)=c1\nc(C(C)C)cc\c1=C(\C)C1=NNC(=O)CC1C
InChIInChI=1S/C18H25N3O2/c1-10(2)15-8-7-14(18(19-15)13(5)23-6)12(4)17-11(3)9-16(22)20-21-17/h7-8,10-11H,9H2,1-6H3,(H,20,22)/b14-12+,18-13-
InChIKeyKQNIQVTUPQRBDA-COVZNBLNSA-N
XLogP1.66
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1E)-1-[(2Z)-2-(1-methoxyethylidene)-6-propan-2-yl-3-pyridinylidene]ethyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[(1E)-1-[(2Z)-2-(1-methoxyethylidene)-6-propan-2-yl-3-pyridinylidene]ethyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 163719766) is 3-[(1E)-1-[(2Z)-2-(1-methoxyethylidene)-6-propan-2-yl-3-pyridinylidene]ethyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(1E)-1-[(2Z)-2-(1-methoxyethylidene)-6-propan-2-yl-3-pyridinylidene]ethyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[(1E)-1-[(2Z)-2-(1-methoxyethylidene)-6-propan-2-yl-3-pyridinylidene]ethyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CO/C(C)=c1\nc(C(C)C)cc\c1=C(\C)C1=NNC(=O)CC1C.
What is the InChIKey of 3-[(1E)-1-[(2Z)-2-(1-methoxyethylidene)-6-propan-2-yl-3-pyridinylidene]ethyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is KQNIQVTUPQRBDA-COVZNBLNSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-10(2)15-8-7-14(18(19-15)13(5)23-6)12(4)17-11(3)9-16(22)20-21-17/h7-8,10-11H,9H2,1-6H3,(H,20,22)/b14-12+,18-13-.
What are the key properties of 3-[(1E)-1-[(2Z)-2-(1-methoxyethylidene)-6-propan-2-yl-3-pyridinylidene]ethyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-[(1E)-1-[(2Z)-2-(1-methoxyethylidene)-6-propan-2-yl-3-pyridinylidene]ethyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 315.42 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E)-1-[(2Z)-2-(1-methoxyethylidene)-6-propan-2-yl-3-pyridinylidene]ethyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 163719766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).