5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one

C10H15N3O — CID 168980143

IUPAC5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one
SMILESC/C=N/c1c(C)c(C(C)C)n[nH]c1=O
InChIInChI=1S/C10H15N3O/c1-5-11-9-7(4)8(6(2)3)12-13-10(9)14/h5-6H,1-4H3,(H,13,14)/b11-5+
InChIKeyBJLRESVVQOCIFH-VZUCSPMQSA-N
MW193.25 g/mol
LogP1.92
Rot. Bonds2

About 5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one

5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one (PubChem CID 168980143) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one
PubChem CID168980143
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one
SMILESC/C=N/c1c(C)c(C(C)C)n[nH]c1=O
InChIInChI=1S/C10H15N3O/c1-5-11-9-7(4)8(6(2)3)12-13-10(9)14/h5-6H,1-4H3,(H,13,14)/b11-5+
InChIKeyBJLRESVVQOCIFH-VZUCSPMQSA-N
XLogP1.92
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one?
The IUPAC name of 5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one (CID 168980143) is 5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one is C/C=N/c1c(C)c(C(C)C)n[nH]c1=O.
What is the InChIKey of 5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one?
The InChIKey is BJLRESVVQOCIFH-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H15N3O/c1-5-11-9-7(4)8(6(2)3)12-13-10(9)14/h5-6H,1-4H3,(H,13,14)/b11-5+.
What are the key properties of 5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one?
5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one has a molecular weight of 193.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 168980143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).