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

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Related Compounds

CID 2805577
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CID 13451787
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CID 13451790
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CID 13451791
CID 13451791
CID 13836638
CID 13836638
CID 63096297
CID 63096297
CID 13451788
CID 13451788
CID 13451808
CID 13451808
CID 13451809
CID 13451809
CID 15050983
CID 15050983
CID 15578937
CID 15578937
CID 1649301
CID 1649301

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).