7-amino-6-methyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione

C4H6N6S — CID 5374216

IUPAC7-amino-6-methyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione
SMILESCc1nn2c(=S)[nH]nc2n1N
InChIInChI=1S/C4H6N6S/c1-2-8-10-3(9(2)5)6-7-4(10)11/h5H2,1H3,(H,7,11)
InChIKeyGUERJZANQPLUCC-UHFFFAOYSA-N
MW170.20 g/mol
LogP-0.39
Rot. Bonds

About 7-amino-6-methyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione

7-amino-6-methyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione (PubChem CID 5374216) has the molecular formula C4H6N6S and a molecular weight of 170.20 g/mol. Its IUPAC name is 7-amino-6-methyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione.

Molecular Properties

Compound Name7-amino-6-methyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione
PubChem CID5374216
Molecular FormulaC4H6N6S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name7-amino-6-methyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione
SMILESCc1nn2c(=S)[nH]nc2n1N
InChIInChI=1S/C4H6N6S/c1-2-8-10-3(9(2)5)6-7-4(10)11/h5H2,1H3,(H,7,11)
InChIKeyGUERJZANQPLUCC-UHFFFAOYSA-N
XLogP-0.39
TPSA76.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(5-methyl-1-propan-2-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
CID 23006459
6-methyl-2H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-thione
CID 5374303
4-amino-3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1H-1,2,4-triazole-5-thione
CID 23006496
3,4-dimethyl-1H-1,2,4-triazole-5-thione;ethane
CID 143798794
4-amino-6-cyclopropyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 82018063
8-phenyl-1,8,10,11,13,14-hexazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,14-pentaene-12-thione
CID 21226906
6-[(2-amino-4-methylphenyl)methyl]-8-methyl-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
CID 82554988
4-amino-6-cyclobutyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 13392743
4-amino-3-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1H-1,2,4-triazole-5-thione
CID 23006497
4-amino-3-(4-aminophenyl)-1H-1,2,4-triazole-5-thione
CID 10998218
4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
CID 23006457
4-amino-3-[3-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]-1H-1,2,4-triazole-5-thione
CID 15829029

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-methyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione?
The IUPAC name of 7-amino-6-methyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione (CID 5374216) is 7-amino-6-methyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione.
What is the SMILES notation for 7-amino-6-methyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione?
The canonical SMILES for 7-amino-6-methyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione is Cc1nn2c(=S)[nH]nc2n1N.
What is the InChIKey of 7-amino-6-methyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione?
The InChIKey is GUERJZANQPLUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N6S/c1-2-8-10-3(9(2)5)6-7-4(10)11/h5H2,1H3,(H,7,11).
What are the key properties of 7-amino-6-methyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione?
7-amino-6-methyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione has a molecular weight of 170.20 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-methyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione is sourced from PubChem (CID 5374216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).