N-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine

C11H18N6S — CID 75432970

IUPACN-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)CSCCCNc1ccc2nnnn2n1
InChIInChI=1S/C11H18N6S/c1-9(2)8-18-7-3-6-12-10-4-5-11-13-15-16-17(11)14-10/h4-5,9H,3,6-8H2,1-2H3,(H,12,14)
InChIKeyGFNSQCKNMSOKJD-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.71
Rot. Bonds7

About N-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 75432970) has the molecular formula C11H18N6S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID75432970
Molecular FormulaC11H18N6S
Molecular Weight266.37 g/mol
Exact Mass266.13
IUPAC NameN-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)CSCCCNc1ccc2nnnn2n1
InChIInChI=1S/C11H18N6S/c1-9(2)8-18-7-3-6-12-10-4-5-11-13-15-16-17(11)14-10/h4-5,9H,3,6-8H2,1-2H3,(H,12,14)
InChIKeyGFNSQCKNMSOKJD-UHFFFAOYSA-N
XLogP1.71
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 75432970) is N-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine is CC(C)CSCCCNc1ccc2nnnn2n1.
What is the InChIKey of N-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is GFNSQCKNMSOKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6S/c1-9(2)8-18-7-3-6-12-10-4-5-11-13-15-16-17(11)14-10/h4-5,9H,3,6-8H2,1-2H3,(H,12,14).
What are the key properties of N-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 266.37 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 75432970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).