6-methylsulfanyl-N-(3-methylsulfanylpropyl)-1,2,4,5-tetrazin-3-amine

C7H13N5S2 — CID 110192061

IUPAC6-methylsulfanyl-N-(3-methylsulfanylpropyl)-1,2,4,5-tetrazin-3-amine
SMILESCSCCCNc1nnc(SC)nn1
InChIInChI=1S/C7H13N5S2/c1-13-5-3-4-8-6-9-11-7(14-2)12-10-6/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyPDOWUGVFNYXYFA-UHFFFAOYSA-N
MW231.35 g/mol
LogP1.15
Rot. Bonds6

About 6-methylsulfanyl-N-(3-methylsulfanylpropyl)-1,2,4,5-tetrazin-3-amine

6-methylsulfanyl-N-(3-methylsulfanylpropyl)-1,2,4,5-tetrazin-3-amine (PubChem CID 110192061) has the molecular formula C7H13N5S2 and a molecular weight of 231.35 g/mol. Its IUPAC name is 6-methylsulfanyl-N-(3-methylsulfanylpropyl)-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N-(3-methylsulfanylpropyl)-1,2,4,5-tetrazin-3-amine
PubChem CID110192061
Molecular FormulaC7H13N5S2
Molecular Weight231.35 g/mol
Exact Mass231.06
IUPAC Name6-methylsulfanyl-N-(3-methylsulfanylpropyl)-1,2,4,5-tetrazin-3-amine
SMILESCSCCCNc1nnc(SC)nn1
InChIInChI=1S/C7H13N5S2/c1-13-5-3-4-8-6-9-11-7(14-2)12-10-6/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyPDOWUGVFNYXYFA-UHFFFAOYSA-N
XLogP1.15
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 51.15
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 6-methylsulfanyl-N-(3-methylsulfanylpropyl)-1,2,4,5-tetrazin-3-amine?
The IUPAC name of 6-methylsulfanyl-N-(3-methylsulfanylpropyl)-1,2,4,5-tetrazin-3-amine (CID 110192061) is 6-methylsulfanyl-N-(3-methylsulfanylpropyl)-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for 6-methylsulfanyl-N-(3-methylsulfanylpropyl)-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for 6-methylsulfanyl-N-(3-methylsulfanylpropyl)-1,2,4,5-tetrazin-3-amine is CSCCCNc1nnc(SC)nn1.
What is the InChIKey of 6-methylsulfanyl-N-(3-methylsulfanylpropyl)-1,2,4,5-tetrazin-3-amine?
The InChIKey is PDOWUGVFNYXYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5S2/c1-13-5-3-4-8-6-9-11-7(14-2)12-10-6/h3-5H2,1-2H3,(H,8,9,10).
What are the key properties of 6-methylsulfanyl-N-(3-methylsulfanylpropyl)-1,2,4,5-tetrazin-3-amine?
6-methylsulfanyl-N-(3-methylsulfanylpropyl)-1,2,4,5-tetrazin-3-amine has a molecular weight of 231.35 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N-(3-methylsulfanylpropyl)-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 110192061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).