2-amino-4-ethyl-4-methyl-1H-imidazol-5-one

C6H11N3O — CID 82996871

IUPAC2-amino-4-ethyl-4-methyl-1H-imidazol-5-one
SMILESCCC1(C)N=C(N)NC1=O
InChIInChI=1S/C6H11N3O/c1-3-6(2)4(10)8-5(7)9-6/h3H2,1-2H3,(H3,7,8,9,10)
InChIKeyFWROAYPEFOLRTI-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.40
Rot. Bonds1

About 2-amino-4-ethyl-4-methyl-1H-imidazol-5-one

2-amino-4-ethyl-4-methyl-1H-imidazol-5-one (PubChem CID 82996871) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-amino-4-ethyl-4-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-ethyl-4-methyl-1H-imidazol-5-one
PubChem CID82996871
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-amino-4-ethyl-4-methyl-1H-imidazol-5-one
SMILESCCC1(C)N=C(N)NC1=O
InChIInChI=1S/C6H11N3O/c1-3-6(2)4(10)8-5(7)9-6/h3H2,1-2H3,(H3,7,8,9,10)
InChIKeyFWROAYPEFOLRTI-UHFFFAOYSA-N
XLogP-0.40
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-4-methyl-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-ethyl-4-methyl-1H-imidazol-5-one (CID 82996871) is 2-amino-4-ethyl-4-methyl-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-ethyl-4-methyl-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-ethyl-4-methyl-1H-imidazol-5-one is CCC1(C)N=C(N)NC1=O.
What is the InChIKey of 2-amino-4-ethyl-4-methyl-1H-imidazol-5-one?
The InChIKey is FWROAYPEFOLRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-3-6(2)4(10)8-5(7)9-6/h3H2,1-2H3,(H3,7,8,9,10).
What are the key properties of 2-amino-4-ethyl-4-methyl-1H-imidazol-5-one?
2-amino-4-ethyl-4-methyl-1H-imidazol-5-one has a molecular weight of 141.17 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-4-methyl-1H-imidazol-5-one is sourced from PubChem (CID 82996871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).