N-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine

C13H22N4S — CID 62280603

IUPACN-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(C)C2CCSC2)nn1
InChIInChI=1S/C13H22N4S/c1-3-7-14-9-11-4-5-13(16-15-11)17(2)12-6-8-18-10-12/h4-5,12,14H,3,6-10H2,1-2H3
InChIKeyKHCRKXLIHZIFTL-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.92
Rot. Bonds6

About N-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine

N-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine (PubChem CID 62280603) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine
PubChem CID62280603
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(C)C2CCSC2)nn1
InChIInChI=1S/C13H22N4S/c1-3-7-14-9-11-4-5-13(16-15-11)17(2)12-6-8-18-10-12/h4-5,12,14H,3,6-10H2,1-2H3
InChIKeyKHCRKXLIHZIFTL-UHFFFAOYSA-N
XLogP1.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine?
The IUPAC name of N-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine (CID 62280603) is N-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine?
The canonical SMILES for N-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine is CCCNCc1ccc(N(C)C2CCSC2)nn1.
What is the InChIKey of N-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine?
The InChIKey is KHCRKXLIHZIFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-3-7-14-9-11-4-5-13(16-15-11)17(2)12-6-8-18-10-12/h4-5,12,14H,3,6-10H2,1-2H3.
What are the key properties of N-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine?
N-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine has a molecular weight of 266.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine is sourced from PubChem (CID 62280603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).