1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine

C11H19N5S — CID 113477822

IUPAC1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine
SMILESCSCCC(C)n1c(N)nc2c(C)nn(C)c21
InChIInChI=1S/C11H19N5S/c1-7(5-6-17-4)16-10-9(13-11(16)12)8(2)14-15(10)3/h7H,5-6H2,1-4H3,(H2,12,13)
InChIKeyXBJSNEGZNRSPAW-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.97
Rot. Bonds4

About 1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine

1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 113477822) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID113477822
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine
SMILESCSCCC(C)n1c(N)nc2c(C)nn(C)c21
InChIInChI=1S/C11H19N5S/c1-7(5-6-17-4)16-10-9(13-11(16)12)8(2)14-15(10)3/h7H,5-6H2,1-4H3,(H2,12,13)
InChIKeyXBJSNEGZNRSPAW-UHFFFAOYSA-N
XLogP1.97
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-6-(5-methylhexan-2-yl)imidazo[4,5-d]pyrazol-5-amine
CID 79296795
1,3-dimethyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79296796
1,3-dimethyl-6-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
CID 79296785
ethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate
CID 79297636
1,3-dimethyl-6-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 79296870
2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide
CID 79297000
6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297221
4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine
CID 113477819
6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297006
5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79288912
1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
CID 79305492
1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine
CID 83144563

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine (CID 113477822) is 1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine is CSCCC(C)n1c(N)nc2c(C)nn(C)c21.
What is the InChIKey of 1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is XBJSNEGZNRSPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-7(5-6-17-4)16-10-9(13-11(16)12)8(2)14-15(10)3/h7H,5-6H2,1-4H3,(H2,12,13).
What are the key properties of 1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine?
1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 253.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 113477822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).