3-(hexylamino)-1H-pyridazin-6-one

C10H17N3O — CID 121205909

IUPAC3-(hexylamino)-1H-pyridazin-6-one
SMILESCCCCCCNc1ccc(=O)[nH]n1
InChIInChI=1S/C10H17N3O/c1-2-3-4-5-8-11-9-6-7-10(14)13-12-9/h6-7H,2-5,8H2,1H3,(H,11,12)(H,13,14)
InChIKeySYLNSBNWFNVCAQ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.76
Rot. Bonds6

About 3-(hexylamino)-1H-pyridazin-6-one

3-(hexylamino)-1H-pyridazin-6-one (PubChem CID 121205909) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(hexylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(hexylamino)-1H-pyridazin-6-one
PubChem CID121205909
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(hexylamino)-1H-pyridazin-6-one
SMILESCCCCCCNc1ccc(=O)[nH]n1
InChIInChI=1S/C10H17N3O/c1-2-3-4-5-8-11-9-6-7-10(14)13-12-9/h6-7H,2-5,8H2,1H3,(H,11,12)(H,13,14)
InChIKeySYLNSBNWFNVCAQ-UHFFFAOYSA-N
XLogP1.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(Piperidin-1-yl)pyridazin-3(2H)-one
CID 13274968
6-(Ethylamino)pyridazin-3(2H)-one
CID 13274962
6-(Propylamino)pyridazin-3(2H)-one
CID 13274963
6-(Butylamino)pyridazin-3(2H)-one
CID 13274966
6-(Diethylamino)pyridazin-3(2H)-one
CID 70522275
6-(Cyclohexylamino)pyridazin-3-ol
CID 94830610
6-(Isobutylamino)pyridazin-3-ol
CID 121205006
6-(Butyl(ethyl)amino)pyridazin-3-ol
CID 121205017
3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one
CID 126992242
3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one
CID 141300649
6-[(Propan-2-yl)amino]pyridazin-3(2H)-one
CID 13274964
6-[(Prop-2-en-1-yl)amino]pyridazin-3(2H)-one
CID 13274965

Frequently Asked Questions

What is the IUPAC name of 3-(hexylamino)-1H-pyridazin-6-one?
The IUPAC name of 3-(hexylamino)-1H-pyridazin-6-one (CID 121205909) is 3-(hexylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(hexylamino)-1H-pyridazin-6-one?
The canonical SMILES for 3-(hexylamino)-1H-pyridazin-6-one is CCCCCCNc1ccc(=O)[nH]n1.
What is the InChIKey of 3-(hexylamino)-1H-pyridazin-6-one?
The InChIKey is SYLNSBNWFNVCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-3-4-5-8-11-9-6-7-10(14)13-12-9/h6-7H,2-5,8H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-(hexylamino)-1H-pyridazin-6-one?
3-(hexylamino)-1H-pyridazin-6-one has a molecular weight of 195.27 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 121205909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).