N-(3-methylsulfanylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine

C11H16N6S — CID 113237754

IUPACN-(3-methylsulfanylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESCSC1CCCC(Nc2ccc3nnnn3n2)C1
InChIInChI=1S/C11H16N6S/c1-18-9-4-2-3-8(7-9)12-10-5-6-11-13-15-16-17(11)14-10/h5-6,8-9H,2-4,7H2,1H3,(H,12,14)
InChIKeyPBVFLEKQZSHYDN-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.61
Rot. Bonds3

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

N-(3-methylsulfanylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 113237754) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID113237754
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC NameN-(3-methylsulfanylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESCSC1CCCC(Nc2ccc3nnnn3n2)C1
InChIInChI=1S/C11H16N6S/c1-18-9-4-2-3-8(7-9)12-10-5-6-11-13-15-16-17(11)14-10/h5-6,8-9H,2-4,7H2,1H3,(H,12,14)
InChIKeyPBVFLEKQZSHYDN-UHFFFAOYSA-N
XLogP1.61
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-(3-methylsulfanylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine (CID 113237754) is N-(3-methylsulfanylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-(3-methylsulfanylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-(3-methylsulfanylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine is CSC1CCCC(Nc2ccc3nnnn3n2)C1.
What is the InChIKey of N-(3-methylsulfanylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is PBVFLEKQZSHYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-18-9-4-2-3-8(7-9)12-10-5-6-11-13-15-16-17(11)14-10/h5-6,8-9H,2-4,7H2,1H3,(H,12,14).
What are the key properties of N-(3-methylsulfanylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine?
N-(3-methylsulfanylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 264.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 113237754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).