1-(4-amino-1-methylimidazol-2-yl)ethanone;ethane

C8H15N3O — CID 143059053

IUPAC1-(4-amino-1-methylimidazol-2-yl)ethanone;ethane
SMILESCC.CC(=O)c1nc(N)cn1C
InChIInChI=1S/C6H9N3O.C2H6/c1-4(10)6-8-5(7)3-9(6)2;1-2/h3H,7H2,1-2H3;1-2H3
InChIKeyQMDDHXCCVMVUOH-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.23
Rot. Bonds1

About 1-(4-amino-1-methylimidazol-2-yl)ethanone;ethane

1-(4-amino-1-methylimidazol-2-yl)ethanone;ethane (PubChem CID 143059053) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(4-amino-1-methylimidazol-2-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(4-amino-1-methylimidazol-2-yl)ethanone;ethane
PubChem CID143059053
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(4-amino-1-methylimidazol-2-yl)ethanone;ethane
SMILESCC.CC(=O)c1nc(N)cn1C
InChIInChI=1S/C6H9N3O.C2H6/c1-4(10)6-8-5(7)3-9(6)2;1-2/h3H,7H2,1-2H3;1-2H3
InChIKeyQMDDHXCCVMVUOH-UHFFFAOYSA-N
XLogP1.23
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-methylimidazol-2-yl)ethanone;ethane?
The IUPAC name of 1-(4-amino-1-methylimidazol-2-yl)ethanone;ethane (CID 143059053) is 1-(4-amino-1-methylimidazol-2-yl)ethanone;ethane.
What is the SMILES notation for 1-(4-amino-1-methylimidazol-2-yl)ethanone;ethane?
The canonical SMILES for 1-(4-amino-1-methylimidazol-2-yl)ethanone;ethane is CC.CC(=O)c1nc(N)cn1C.
What is the InChIKey of 1-(4-amino-1-methylimidazol-2-yl)ethanone;ethane?
The InChIKey is QMDDHXCCVMVUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.C2H6/c1-4(10)6-8-5(7)3-9(6)2;1-2/h3H,7H2,1-2H3;1-2H3.
What are the key properties of 1-(4-amino-1-methylimidazol-2-yl)ethanone;ethane?
1-(4-amino-1-methylimidazol-2-yl)ethanone;ethane has a molecular weight of 169.23 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-methylimidazol-2-yl)ethanone;ethane is sourced from PubChem (CID 143059053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).