1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine

C11H14N6S — CID 79304809

IUPAC1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(Cc3nccs3)c21
InChIInChI=1S/C11H14N6S/c1-3-17-10-9(7(2)15-17)14-11(12)16(10)6-8-13-4-5-18-8/h4-5H,3,6H2,1-2H3,(H2,12,14)
InChIKeyAXWYDZIGGZKACA-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.65
Rot. Bonds3

About 1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine

1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79304809) has the molecular formula C11H14N6S and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79304809
Molecular FormulaC11H14N6S
Molecular Weight262.34 g/mol
Exact Mass262.10
IUPAC Name1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(Cc3nccs3)c21
InChIInChI=1S/C11H14N6S/c1-3-17-10-9(7(2)15-17)14-11(12)16(10)6-8-13-4-5-18-8/h4-5H,3,6H2,1-2H3,(H2,12,14)
InChIKeyAXWYDZIGGZKACA-UHFFFAOYSA-N
XLogP1.65
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine (CID 79304809) is 1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(Cc3nccs3)c21.
What is the InChIKey of 1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is AXWYDZIGGZKACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6S/c1-3-17-10-9(7(2)15-17)14-11(12)16(10)6-8-13-4-5-18-8/h4-5H,3,6H2,1-2H3,(H2,12,14).
What are the key properties of 1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 262.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79304809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).