1-ethoxy-2,3-dimethylimidazo[1,5-a]imidazol-7-amine

C9H14N4O — CID 69459147

IUPAC1-ethoxy-2,3-dimethylimidazo[1,5-a]imidazol-7-amine
SMILESCCOn1c(C)c(C)n2cnc(N)c12
InChIInChI=1S/C9H14N4O/c1-4-14-13-7(3)6(2)12-5-11-8(10)9(12)13/h5H,4,10H2,1-3H3
InChIKeyMCWQIDVSDAQJMP-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.78
Rot. Bonds2

About 1-ethoxy-2,3-dimethylimidazo[1,5-a]imidazol-7-amine

1-ethoxy-2,3-dimethylimidazo[1,5-a]imidazol-7-amine (PubChem CID 69459147) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-ethoxy-2,3-dimethylimidazo[1,5-a]imidazol-7-amine.

Molecular Properties

Compound Name1-ethoxy-2,3-dimethylimidazo[1,5-a]imidazol-7-amine
PubChem CID69459147
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-ethoxy-2,3-dimethylimidazo[1,5-a]imidazol-7-amine
SMILESCCOn1c(C)c(C)n2cnc(N)c12
InChIInChI=1S/C9H14N4O/c1-4-14-13-7(3)6(2)12-5-11-8(10)9(12)13/h5H,4,10H2,1-3H3
InChIKeyMCWQIDVSDAQJMP-UHFFFAOYSA-N
XLogP0.78
TPSA57.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-dimethylimidazo[1,5-a]imidazol-7-amine?
The IUPAC name of 1-ethoxy-2,3-dimethylimidazo[1,5-a]imidazol-7-amine (CID 69459147) is 1-ethoxy-2,3-dimethylimidazo[1,5-a]imidazol-7-amine.
What is the SMILES notation for 1-ethoxy-2,3-dimethylimidazo[1,5-a]imidazol-7-amine?
The canonical SMILES for 1-ethoxy-2,3-dimethylimidazo[1,5-a]imidazol-7-amine is CCOn1c(C)c(C)n2cnc(N)c12.
What is the InChIKey of 1-ethoxy-2,3-dimethylimidazo[1,5-a]imidazol-7-amine?
The InChIKey is MCWQIDVSDAQJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-4-14-13-7(3)6(2)12-5-11-8(10)9(12)13/h5H,4,10H2,1-3H3.
What are the key properties of 1-ethoxy-2,3-dimethylimidazo[1,5-a]imidazol-7-amine?
1-ethoxy-2,3-dimethylimidazo[1,5-a]imidazol-7-amine has a molecular weight of 194.24 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-dimethylimidazo[1,5-a]imidazol-7-amine is sourced from PubChem (CID 69459147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).