1-(1-methylsulfinylpropan-2-yl)-1,2,4-triazol-3-amine

C6H12N4OS — CID 130948909

IUPAC1-(1-methylsulfinylpropan-2-yl)-1,2,4-triazol-3-amine
SMILESCC(CS(C)=O)n1cnc(N)n1
InChIInChI=1S/C6H12N4OS/c1-5(3-12(2)11)10-4-8-6(7)9-10/h4-5H,3H2,1-2H3,(H2,7,9)
InChIKeyXMODIQLKJADPAH-UHFFFAOYSA-N
MW188.26 g/mol
LogP-0.20
Rot. Bonds3

About 1-(1-methylsulfinylpropan-2-yl)-1,2,4-triazol-3-amine

1-(1-methylsulfinylpropan-2-yl)-1,2,4-triazol-3-amine (PubChem CID 130948909) has the molecular formula C6H12N4OS and a molecular weight of 188.26 g/mol. Its IUPAC name is 1-(1-methylsulfinylpropan-2-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(1-methylsulfinylpropan-2-yl)-1,2,4-triazol-3-amine
PubChem CID130948909
Molecular FormulaC6H12N4OS
Molecular Weight188.26 g/mol
Exact Mass188.07
IUPAC Name1-(1-methylsulfinylpropan-2-yl)-1,2,4-triazol-3-amine
SMILESCC(CS(C)=O)n1cnc(N)n1
InChIInChI=1S/C6H12N4OS/c1-5(3-12(2)11)10-4-8-6(7)9-10/h4-5H,3H2,1-2H3,(H2,7,9)
InChIKeyXMODIQLKJADPAH-UHFFFAOYSA-N
XLogP-0.20
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfinylpropan-2-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(1-methylsulfinylpropan-2-yl)-1,2,4-triazol-3-amine (CID 130948909) is 1-(1-methylsulfinylpropan-2-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(1-methylsulfinylpropan-2-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(1-methylsulfinylpropan-2-yl)-1,2,4-triazol-3-amine is CC(CS(C)=O)n1cnc(N)n1.
What is the InChIKey of 1-(1-methylsulfinylpropan-2-yl)-1,2,4-triazol-3-amine?
The InChIKey is XMODIQLKJADPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4OS/c1-5(3-12(2)11)10-4-8-6(7)9-10/h4-5H,3H2,1-2H3,(H2,7,9).
What are the key properties of 1-(1-methylsulfinylpropan-2-yl)-1,2,4-triazol-3-amine?
1-(1-methylsulfinylpropan-2-yl)-1,2,4-triazol-3-amine has a molecular weight of 188.26 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfinylpropan-2-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 130948909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).