5-amino-2-hexylpyridazin-3-one

C10H17N3O — CID 103218167

IUPAC5-amino-2-hexylpyridazin-3-one
SMILESCCCCCCn1ncc(N)cc1=O
InChIInChI=1S/C10H17N3O/c1-2-3-4-5-6-13-10(14)7-9(11)8-12-13/h7-8H,2-6,11H2,1H3
InChIKeyMRQBDIKEMYWAPG-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.41
Rot. Bonds5

About 5-amino-2-hexylpyridazin-3-one

5-amino-2-hexylpyridazin-3-one (PubChem CID 103218167) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-amino-2-hexylpyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-hexylpyridazin-3-one
PubChem CID103218167
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-amino-2-hexylpyridazin-3-one
SMILESCCCCCCn1ncc(N)cc1=O
InChIInChI=1S/C10H17N3O/c1-2-3-4-5-6-13-10(14)7-9(11)8-12-13/h7-8H,2-6,11H2,1H3
InChIKeyMRQBDIKEMYWAPG-UHFFFAOYSA-N
XLogP1.41
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-2-buten-1-yl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 29023190
2-Pentyl-4-amino-3(2h)-pyridazinone
CID 129708493
5-Amino-2-propan-2-ylpyridazin-3-one
CID 20513821
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
2-[5-(Methylamino)hexyl]pyridazin-3-one
CID 62850670
2-[5-(Ethylamino)hexyl]pyridazin-3-one
CID 62850671
2-[5-(Propylamino)hexyl]pyridazin-3-one
CID 62850672
2-(5-Aminohexyl)pyridazin-3-one
CID 62850673
5-(Dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one
CID 72853311
5-(4-aminopiperidin-1-yl)-2-methylpyridazin-3(2H)-one
CID 91812155
5-Amino-2-nonylpyridazin-3-one
CID 103218165
5-Amino-2-heptylpyridazin-3-one
CID 103218166

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-hexylpyridazin-3-one?
The IUPAC name of 5-amino-2-hexylpyridazin-3-one (CID 103218167) is 5-amino-2-hexylpyridazin-3-one.
What is the SMILES notation for 5-amino-2-hexylpyridazin-3-one?
The canonical SMILES for 5-amino-2-hexylpyridazin-3-one is CCCCCCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-hexylpyridazin-3-one?
The InChIKey is MRQBDIKEMYWAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-3-4-5-6-13-10(14)7-9(11)8-12-13/h7-8H,2-6,11H2,1H3.
What are the key properties of 5-amino-2-hexylpyridazin-3-one?
5-amino-2-hexylpyridazin-3-one has a molecular weight of 195.27 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-hexylpyridazin-3-one is sourced from PubChem (CID 103218167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).