6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine

C13H23N5 — CID 113457913

IUPAC6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2C(C)C(C)(C)C
InChIInChI=1S/C13H23N5/c1-7-9-10-11(17(6)16-9)18(12(14)15-10)8(2)13(3,4)5/h8H,7H2,1-6H3,(H2,14,15)
InChIKeyIPSPNORZGHEIPM-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.52
Rot. Bonds2

About 6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine

6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 113457913) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID113457913
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2C(C)C(C)(C)C
InChIInChI=1S/C13H23N5/c1-7-9-10-11(17(6)16-9)18(12(14)15-10)8(2)13(3,4)5/h8H,7H2,1-6H3,(H2,14,15)
InChIKeyIPSPNORZGHEIPM-UHFFFAOYSA-N
XLogP2.52
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine (CID 113457913) is 6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2C(C)C(C)(C)C.
What is the InChIKey of 6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is IPSPNORZGHEIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-7-9-10-11(17(6)16-9)18(12(14)15-10)8(2)13(3,4)5/h8H,7H2,1-6H3,(H2,14,15).
What are the key properties of 6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 249.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 113457913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).