1-methyl-3-methylsulfinylpyrazole-4,5-diamine

C5H10N4OS — CID 66897291

IUPAC1-methyl-3-methylsulfinylpyrazole-4,5-diamine
SMILESCn1nc(S(C)=O)c(N)c1N
InChIInChI=1S/C5H10N4OS/c1-9-4(7)3(6)5(8-9)11(2)10/h6-7H2,1-2H3
InChIKeyOVSNJDRDLUAFEQ-UHFFFAOYSA-N
MW174.23 g/mol
LogP-0.68
Rot. Bonds1

About 1-methyl-3-methylsulfinylpyrazole-4,5-diamine

1-methyl-3-methylsulfinylpyrazole-4,5-diamine (PubChem CID 66897291) has the molecular formula C5H10N4OS and a molecular weight of 174.23 g/mol. Its IUPAC name is 1-methyl-3-methylsulfinylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-3-methylsulfinylpyrazole-4,5-diamine
PubChem CID66897291
Molecular FormulaC5H10N4OS
Molecular Weight174.23 g/mol
Exact Mass174.06
IUPAC Name1-methyl-3-methylsulfinylpyrazole-4,5-diamine
SMILESCn1nc(S(C)=O)c(N)c1N
InChIInChI=1S/C5H10N4OS/c1-9-4(7)3(6)5(8-9)11(2)10/h6-7H2,1-2H3
InChIKeyOVSNJDRDLUAFEQ-UHFFFAOYSA-N
XLogP-0.68
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfinylpyrazole-4,5-diamine?
The IUPAC name of 1-methyl-3-methylsulfinylpyrazole-4,5-diamine (CID 66897291) is 1-methyl-3-methylsulfinylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-3-methylsulfinylpyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-3-methylsulfinylpyrazole-4,5-diamine is Cn1nc(S(C)=O)c(N)c1N.
What is the InChIKey of 1-methyl-3-methylsulfinylpyrazole-4,5-diamine?
The InChIKey is OVSNJDRDLUAFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4OS/c1-9-4(7)3(6)5(8-9)11(2)10/h6-7H2,1-2H3.
What are the key properties of 1-methyl-3-methylsulfinylpyrazole-4,5-diamine?
1-methyl-3-methylsulfinylpyrazole-4,5-diamine has a molecular weight of 174.23 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfinylpyrazole-4,5-diamine is sourced from PubChem (CID 66897291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).