5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine

C6H12N4S — CID 13451790

IUPAC5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine
SMILESCSc1nc(N)n(C(C)C)n1
InChIInChI=1S/C6H12N4S/c1-4(2)10-5(7)8-6(9-10)11-3/h4H,1-3H3,(H2,7,8,9)
InChIKeyUTSZLMPQRSYHHK-UHFFFAOYSA-N
MW172.26 g/mol
LogP1.16
Rot. Bonds2

About 5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine

5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 13451790) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is 5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID13451790
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC Name5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine
SMILESCSc1nc(N)n(C(C)C)n1
InChIInChI=1S/C6H12N4S/c1-4(2)10-5(7)8-6(9-10)11-3/h4H,1-3H3,(H2,7,8,9)
InChIKeyUTSZLMPQRSYHHK-UHFFFAOYSA-N
XLogP1.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine
CID 160747962
2-(4-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine
CID 15578956
ethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine
CID 156792933
3-methyl-5-methylsulfanyl-1-propan-2-yl-1,2,4-triazole
CID 149243213
2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine
CID 10464931
2-ethyl-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 70951796
5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine
CID 83863937
2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine
CID 54471860
5-amino-N-butyl-3-methylsulfanyl-1,2,4-triazole-1-carbothioamide
CID 13055541
4-bromobutyl 5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbodithioate
CID 10246677
5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 66025269
5-(aminomethyl)-1-propan-2-ylpyrazol-3-amine
CID 83863940

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine (CID 13451790) is 5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine is CSc1nc(N)n(C(C)C)n1.
What is the InChIKey of 5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is UTSZLMPQRSYHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-4(2)10-5(7)8-6(9-10)11-3/h4H,1-3H3,(H2,7,8,9).
What are the key properties of 5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine?
5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 172.26 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 13451790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).