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

C9H14N6S — CID 78957763

IUPACN-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESCSCC(C)CNc1ccc2nnnn2n1
InChIInChI=1S/C9H14N6S/c1-7(6-16-2)5-10-8-3-4-9-11-13-14-15(9)12-8/h3-4,7H,5-6H2,1-2H3,(H,10,12)
InChIKeyMFNUQKZTMOBIMN-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.93
Rot. Bonds5

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

N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 78957763) has the molecular formula C9H14N6S and a molecular weight of 238.32 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID78957763
Molecular FormulaC9H14N6S
Molecular Weight238.32 g/mol
Exact Mass238.10
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESCSCC(C)CNc1ccc2nnnn2n1
InChIInChI=1S/C9H14N6S/c1-7(6-16-2)5-10-8-3-4-9-11-13-14-15(9)12-8/h3-4,7H,5-6H2,1-2H3,(H,10,12)
InChIKeyMFNUQKZTMOBIMN-UHFFFAOYSA-N
XLogP0.93
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine (CID 78957763) is N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine is CSCC(C)CNc1ccc2nnnn2n1.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is MFNUQKZTMOBIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6S/c1-7(6-16-2)5-10-8-3-4-9-11-13-14-15(9)12-8/h3-4,7H,5-6H2,1-2H3,(H,10,12).
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine?
N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 238.32 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 78957763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).