4-amino-3-methyl-3H-1,2,4-triazole-5-thione

C3H6N4S — CID 88625342

IUPAC4-amino-3-methyl-3H-1,2,4-triazole-5-thione
SMILESCC1N=NC(=S)N1N
InChIInChI=1S/C3H6N4S/c1-2-5-6-3(8)7(2)4/h2H,4H2,1H3
InChIKeyOHWQYCPUUWVLDI-UHFFFAOYSA-N
MW130.18 g/mol
LogP0.26
Rot. Bonds

About 4-amino-3-methyl-3H-1,2,4-triazole-5-thione

4-amino-3-methyl-3H-1,2,4-triazole-5-thione (PubChem CID 88625342) has the molecular formula C3H6N4S and a molecular weight of 130.18 g/mol. Its IUPAC name is 4-amino-3-methyl-3H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-amino-3-methyl-3H-1,2,4-triazole-5-thione
PubChem CID88625342
Molecular FormulaC3H6N4S
Molecular Weight130.18 g/mol
Exact Mass130.03
IUPAC Name4-amino-3-methyl-3H-1,2,4-triazole-5-thione
SMILESCC1N=NC(=S)N1N
InChIInChI=1S/C3H6N4S/c1-2-5-6-3(8)7(2)4/h2H,4H2,1H3
InChIKeyOHWQYCPUUWVLDI-UHFFFAOYSA-N
XLogP0.26
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.18
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(dimethylamino)ethyl)-1,2-dihydro-5H-tetrazole-5-thione
CID 3017268
1-Ethyl-1,2-dihydro-5H-tetrazole-5-thione
CID 3034248
1,2-Dihydro-1-(1-methylethyl)-5H-tetrazole-5-thione
CID 7131396
1-Propyl-1H-tetrazole-5-thiol
CID 8831747
1-Butyl-5-mercaptotetrazole
CID 10931710
1-(2,2-difluoroethyl)-1H-1,2,3,4-tetrazole-5-thiol
CID 115407856
4-amino-3-(difluoromethyl)-3H-1,2,4-triazole-5-thione
CID 170922232
1-cyanomethyl-1H-tetrazol-5-thiol
CID 12785785
1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione
CID 18317168
trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium
CID 18341861
1-(1-aminoethyl)-2H-tetrazole-5-thione
CID 20380202
1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine
CID 22161533

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-3H-1,2,4-triazole-5-thione?
The IUPAC name of 4-amino-3-methyl-3H-1,2,4-triazole-5-thione (CID 88625342) is 4-amino-3-methyl-3H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-amino-3-methyl-3H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-amino-3-methyl-3H-1,2,4-triazole-5-thione is CC1N=NC(=S)N1N.
What is the InChIKey of 4-amino-3-methyl-3H-1,2,4-triazole-5-thione?
The InChIKey is OHWQYCPUUWVLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4S/c1-2-5-6-3(8)7(2)4/h2H,4H2,1H3.
What are the key properties of 4-amino-3-methyl-3H-1,2,4-triazole-5-thione?
4-amino-3-methyl-3H-1,2,4-triazole-5-thione has a molecular weight of 130.18 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-3H-1,2,4-triazole-5-thione is sourced from PubChem (CID 88625342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).