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

C7H16N4S — CID 160747962

IUPACmethane;5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine
SMILESC.CSc1nc(N)n(C(C)C)n1
InChIInChI=1S/C6H12N4S.CH4/c1-4(2)10-5(7)8-6(9-10)11-3;/h4H,1-3H3,(H2,7,8,9);1H4
InChIKeyRWKYKRUSTYKYOY-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.80
Rot. Bonds2

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

methane;5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 160747962) has the molecular formula C7H16N4S and a molecular weight of 188.30 g/mol. Its IUPAC name is methane;5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Namemethane;5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID160747962
Molecular FormulaC7H16N4S
Molecular Weight188.30 g/mol
Exact Mass188.11
IUPAC Namemethane;5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine
SMILESC.CSc1nc(N)n(C(C)C)n1
InChIInChI=1S/C6H12N4S.CH4/c1-4(2)10-5(7)8-6(9-10)11-3;/h4H,1-3H3,(H2,7,8,9);1H4
InChIKeyRWKYKRUSTYKYOY-UHFFFAOYSA-N
XLogP1.80
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methane;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

Frequently Asked Questions

What is the IUPAC name of methane;5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of methane;5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine (CID 160747962) is methane;5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for methane;5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for methane;5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine is C.CSc1nc(N)n(C(C)C)n1.
What is the InChIKey of methane;5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is RWKYKRUSTYKYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S.CH4/c1-4(2)10-5(7)8-6(9-10)11-3;/h4H,1-3H3,(H2,7,8,9);1H4.
What are the key properties of methane;5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine?
methane;5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 188.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 160747962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).