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

C14H25N3O — CID 168980142

IUPACbutane;5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one
SMILESC/C=N/c1c(C)c(C(C)C)n[nH]c1=O.CCCC
InChIInChI=1S/C10H15N3O.C4H10/c1-5-11-9-7(4)8(6(2)3)12-13-10(9)14;1-3-4-2/h5-6H,1-4H3,(H,13,14);3-4H2,1-2H3/b11-5+;
InChIKeySXTIHDWVDSSDAC-HMXKFKBXSA-N
MW251.37 g/mol
LogP3.73
Rot. Bonds3

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

butane;5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one (PubChem CID 168980142) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is butane;5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Namebutane;5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one
PubChem CID168980142
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Namebutane;5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one
SMILESC/C=N/c1c(C)c(C(C)C)n[nH]c1=O.CCCC
InChIInChI=1S/C10H15N3O.C4H10/c1-5-11-9-7(4)8(6(2)3)12-13-10(9)14;1-3-4-2/h5-6H,1-4H3,(H,13,14);3-4H2,1-2H3/b11-5+;
InChIKeySXTIHDWVDSSDAC-HMXKFKBXSA-N
XLogP3.73
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.73
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 butane;5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one?
The IUPAC name of butane;5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one (CID 168980142) is butane;5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for butane;5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one?
The canonical SMILES for butane;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.CCCC.
What is the InChIKey of butane;5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one?
The InChIKey is SXTIHDWVDSSDAC-HMXKFKBXSA-N. The full InChI is InChI=1S/C10H15N3O.C4H10/c1-5-11-9-7(4)8(6(2)3)12-13-10(9)14;1-3-4-2/h5-6H,1-4H3,(H,13,14);3-4H2,1-2H3/b11-5+;.
What are the key properties of butane;5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one?
butane;5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one has a molecular weight of 251.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 168980142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).