6-(2,2-dimethylbutyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine

C12H21N5 — CID 103462891

IUPAC6-(2,2-dimethylbutyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCCC(C)(C)Cn1c(N)nc2c(C)nn(C)c21
InChIInChI=1S/C12H21N5/c1-6-12(3,4)7-17-10-9(14-11(17)13)8(2)15-16(10)5/h6-7H2,1-5H3,(H2,13,14)
InChIKeyUXXQFRAGUDUWFS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.10
Rot. Bonds3

About 6-(2,2-dimethylbutyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine

6-(2,2-dimethylbutyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 103462891) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-(2,2-dimethylbutyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(2,2-dimethylbutyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
PubChem CID103462891
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name6-(2,2-dimethylbutyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCCC(C)(C)Cn1c(N)nc2c(C)nn(C)c21
InChIInChI=1S/C12H21N5/c1-6-12(3,4)7-17-10-9(14-11(17)13)8(2)15-16(10)5/h6-7H2,1-5H3,(H2,13,14)
InChIKeyUXXQFRAGUDUWFS-UHFFFAOYSA-N
XLogP2.10
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylbutyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(2,2-dimethylbutyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (CID 103462891) is 6-(2,2-dimethylbutyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(2,2-dimethylbutyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(2,2-dimethylbutyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is CCC(C)(C)Cn1c(N)nc2c(C)nn(C)c21.
What is the InChIKey of 6-(2,2-dimethylbutyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is UXXQFRAGUDUWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-6-12(3,4)7-17-10-9(14-11(17)13)8(2)15-16(10)5/h6-7H2,1-5H3,(H2,13,14).
What are the key properties of 6-(2,2-dimethylbutyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
6-(2,2-dimethylbutyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 235.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylbutyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 103462891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).