N-(2-phenylsulfanylethyl)tetrazolo[1,5-b]pyridazin-6-amine

C12H12N6S — CID 17416065

IUPACN-(2-phenylsulfanylethyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1ccc(SCCNc2ccc3nnnn3n2)cc1
InChIInChI=1S/C12H12N6S/c1-2-4-10(5-3-1)19-9-8-13-11-6-7-12-14-16-17-18(12)15-11/h1-7H,8-9H2,(H,13,15)
InChIKeyPRZKITNURLTVIV-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.72
Rot. Bonds5

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

N-(2-phenylsulfanylethyl)tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 17416065) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID17416065
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC NameN-(2-phenylsulfanylethyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1ccc(SCCNc2ccc3nnnn3n2)cc1
InChIInChI=1S/C12H12N6S/c1-2-4-10(5-3-1)19-9-8-13-11-6-7-12-14-16-17-18(12)15-11/h1-7H,8-9H2,(H,13,15)
InChIKeyPRZKITNURLTVIV-UHFFFAOYSA-N
XLogP1.72
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.72
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-(2-phenylsulfanylethyl)tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-(2-phenylsulfanylethyl)tetrazolo[1,5-b]pyridazin-6-amine (CID 17416065) is N-(2-phenylsulfanylethyl)tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-phenylsulfanylethyl)tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-(2-phenylsulfanylethyl)tetrazolo[1,5-b]pyridazin-6-amine is c1ccc(SCCNc2ccc3nnnn3n2)cc1.
What is the InChIKey of N-(2-phenylsulfanylethyl)tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is PRZKITNURLTVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S/c1-2-4-10(5-3-1)19-9-8-13-11-6-7-12-14-16-17-18(12)15-11/h1-7H,8-9H2,(H,13,15).
What are the key properties of N-(2-phenylsulfanylethyl)tetrazolo[1,5-b]pyridazin-6-amine?
N-(2-phenylsulfanylethyl)tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 272.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 17416065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).