6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine

C6H11N5S — CID 110191378

IUPAC6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine
SMILESCSc1nnc(NC(C)C)nn1
InChIInChI=1S/C6H11N5S/c1-4(2)7-5-8-10-6(12-3)11-9-5/h4H,1-3H3,(H,7,8,9)
InChIKeyWWUCBNTYSMYYMZ-UHFFFAOYSA-N
MW185.26 g/mol
LogP0.81
Rot. Bonds3

About 6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine

6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine (PubChem CID 110191378) has the molecular formula C6H11N5S and a molecular weight of 185.26 g/mol. Its IUPAC name is 6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine
PubChem CID110191378
Molecular FormulaC6H11N5S
Molecular Weight185.26 g/mol
Exact Mass185.07
IUPAC Name6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine
SMILESCSc1nnc(NC(C)C)nn1
InChIInChI=1S/C6H11N5S/c1-4(2)7-5-8-10-6(12-3)11-9-5/h4H,1-3H3,(H,7,8,9)
InChIKeyWWUCBNTYSMYYMZ-UHFFFAOYSA-N
XLogP0.81
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine?
The IUPAC name of 6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine (CID 110191378) is 6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for 6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for 6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine is CSc1nnc(NC(C)C)nn1.
What is the InChIKey of 6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine?
The InChIKey is WWUCBNTYSMYYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5S/c1-4(2)7-5-8-10-6(12-3)11-9-5/h4H,1-3H3,(H,7,8,9).
What are the key properties of 6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine?
6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine has a molecular weight of 185.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 110191378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).