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

C9H15N5S — CID 79296796

IUPAC1,3-dimethyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCSCCn1c(N)nc2c(C)nn(C)c21
InChIInChI=1S/C9H15N5S/c1-6-7-8(13(2)12-6)14(4-5-15-3)9(10)11-7/h4-5H2,1-3H3,(H2,10,11)
InChIKeyURDDJFCTPJUDKW-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.02
Rot. Bonds3

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

1,3-dimethyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79296796) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 1,3-dimethyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79296796
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name1,3-dimethyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCSCCn1c(N)nc2c(C)nn(C)c21
InChIInChI=1S/C9H15N5S/c1-6-7-8(13(2)12-6)14(4-5-15-3)9(10)11-7/h4-5H2,1-3H3,(H2,10,11)
InChIKeyURDDJFCTPJUDKW-UHFFFAOYSA-N
XLogP1.02
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazol-5-amine (CID 79296796) is 1,3-dimethyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazol-5-amine is CSCCn1c(N)nc2c(C)nn(C)c21.
What is the InChIKey of 1,3-dimethyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is URDDJFCTPJUDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c1-6-7-8(13(2)12-6)14(4-5-15-3)9(10)11-7/h4-5H2,1-3H3,(H2,10,11).
What are the key properties of 1,3-dimethyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazol-5-amine?
1,3-dimethyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 225.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79296796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).