1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine

C4H8N4S — CID 522820

IUPAC1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine
SMILESCSc1nc(N)nn1C
InChIInChI=1S/C4H8N4S/c1-8-4(9-2)6-3(5)7-8/h1-2H3,(H2,5,7)
InChIKeyGHBGCSIFUKEXTC-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.12
Rot. Bonds1

About 1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine

1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine (PubChem CID 522820) has the molecular formula C4H8N4S and a molecular weight of 144.20 g/mol. Its IUPAC name is 1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine
PubChem CID522820
Molecular FormulaC4H8N4S
Molecular Weight144.20 g/mol
Exact Mass144.05
IUPAC Name1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine
SMILESCSc1nc(N)nn1C
InChIInChI=1S/C4H8N4S/c1-8-4(9-2)6-3(5)7-8/h1-2H3,(H2,5,7)
InChIKeyGHBGCSIFUKEXTC-UHFFFAOYSA-N
XLogP0.12
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)sulfanyl]propane-1-thiol
CID 582541
5-methylsulfanyl-1-prop-2-enyl-1,2,4-triazol-3-amine
CID 15578938
5-chloro-1-methyl-1,2,4-triazol-3-amine
CID 14221624
5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine
CID 84731228
2-hydrazinyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
CID 170854652
5-[(dimethylamino)methyl]-1-methyl-1,2,4-triazol-3-amine
CID 83872828
ethane;4-methyl-3-methylsulfanyl-1,2,4-triazole
CID 91546517
1-(4-chlorophenyl)-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanimine
CID 5181299
4-iodo-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 25047142
5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine
CID 104605679
7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine
CID 11033489
5-[(4-aminophenyl)methyl]-1-methyl-1,2,4-triazol-3-amine
CID 84671647

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine?
The IUPAC name of 1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine (CID 522820) is 1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine is CSc1nc(N)nn1C.
What is the InChIKey of 1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine?
The InChIKey is GHBGCSIFUKEXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4S/c1-8-4(9-2)6-3(5)7-8/h1-2H3,(H2,5,7).
What are the key properties of 1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine?
1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine has a molecular weight of 144.20 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 522820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).