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

C11H17N3O — CID 123320884

IUPAC3-(5-iminohexan-2-yl)-4-methyl-1H-pyridazin-6-one
SMILES[H]/N=C(\C)CCC(C)c1n[nH]c(=O)cc1C
InChIInChI=1S/C11H17N3O/c1-7(4-5-9(3)12)11-8(2)6-10(15)13-14-11/h6-7,12H,4-5H2,1-3H3,(H,13,15)/b12-9+
InChIKeyGVRJEWGVKNVWJD-FMIVXFBMSA-N
MW207.28 g/mol
LogP2.00
Rot. Bonds4

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

3-(5-iminohexan-2-yl)-4-methyl-1H-pyridazin-6-one (PubChem CID 123320884) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(5-iminohexan-2-yl)-4-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(5-iminohexan-2-yl)-4-methyl-1H-pyridazin-6-one
PubChem CID123320884
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(5-iminohexan-2-yl)-4-methyl-1H-pyridazin-6-one
SMILES[H]/N=C(\C)CCC(C)c1n[nH]c(=O)cc1C
InChIInChI=1S/C11H17N3O/c1-7(4-5-9(3)12)11-8(2)6-10(15)13-14-11/h6-7,12H,4-5H2,1-3H3,(H,13,15)/b12-9+
InChIKeyGVRJEWGVKNVWJD-FMIVXFBMSA-N
XLogP2.00
TPSA69.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
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 3-(5-iminohexan-2-yl)-4-methyl-1H-pyridazin-6-one?
The IUPAC name of 3-(5-iminohexan-2-yl)-4-methyl-1H-pyridazin-6-one (CID 123320884) is 3-(5-iminohexan-2-yl)-4-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(5-iminohexan-2-yl)-4-methyl-1H-pyridazin-6-one?
The canonical SMILES for 3-(5-iminohexan-2-yl)-4-methyl-1H-pyridazin-6-one is [H]/N=C(\C)CCC(C)c1n[nH]c(=O)cc1C.
What is the InChIKey of 3-(5-iminohexan-2-yl)-4-methyl-1H-pyridazin-6-one?
The InChIKey is GVRJEWGVKNVWJD-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(4-5-9(3)12)11-8(2)6-10(15)13-14-11/h6-7,12H,4-5H2,1-3H3,(H,13,15)/b12-9+.
What are the key properties of 3-(5-iminohexan-2-yl)-4-methyl-1H-pyridazin-6-one?
3-(5-iminohexan-2-yl)-4-methyl-1H-pyridazin-6-one has a molecular weight of 207.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iminohexan-2-yl)-4-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 123320884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).