6-amino-2-hexylpyridazin-3-one

C10H17N3O — CID 116788153

IUPAC6-amino-2-hexylpyridazin-3-one
SMILESCCCCCCn1nc(N)ccc1=O
InChIInChI=1S/C10H17N3O/c1-2-3-4-5-8-13-10(14)7-6-9(11)12-13/h6-7H,2-5,8H2,1H3,(H2,11,12)
InChIKeyRCLCXJPEDQIRHL-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.41
Rot. Bonds5

About 6-amino-2-hexylpyridazin-3-one

6-amino-2-hexylpyridazin-3-one (PubChem CID 116788153) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 6-amino-2-hexylpyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-hexylpyridazin-3-one
PubChem CID116788153
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name6-amino-2-hexylpyridazin-3-one
SMILESCCCCCCn1nc(N)ccc1=O
InChIInChI=1S/C10H17N3O/c1-2-3-4-5-8-13-10(14)7-6-9(11)12-13/h6-7H,2-5,8H2,1H3,(H2,11,12)
InChIKeyRCLCXJPEDQIRHL-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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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-hexylpyridazin-3-one?
The IUPAC name of 6-amino-2-hexylpyridazin-3-one (CID 116788153) is 6-amino-2-hexylpyridazin-3-one.
What is the SMILES notation for 6-amino-2-hexylpyridazin-3-one?
The canonical SMILES for 6-amino-2-hexylpyridazin-3-one is CCCCCCn1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-hexylpyridazin-3-one?
The InChIKey is RCLCXJPEDQIRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-3-4-5-8-13-10(14)7-6-9(11)12-13/h6-7H,2-5,8H2,1H3,(H2,11,12).
What are the key properties of 6-amino-2-hexylpyridazin-3-one?
6-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 6-amino-2-hexylpyridazin-3-one is sourced from PubChem (CID 116788153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).