2-[1-(3-methylquinoxalin-2-yl)imidazol-2-yl]ethanamine

C14H15N5 — CID 62408679

IUPAC2-[1-(3-methylquinoxalin-2-yl)imidazol-2-yl]ethanamine
SMILESCc1nc2ccccc2nc1-n1ccnc1CCN
InChIInChI=1S/C14H15N5/c1-10-14(19-9-8-16-13(19)6-7-15)18-12-5-3-2-4-11(12)17-10/h2-5,8-9H,6-7,15H2,1H3
InChIKeyIRGRDVKBWQFXSE-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.63
Rot. Bonds3

About 2-[1-(3-methylquinoxalin-2-yl)imidazol-2-yl]ethanamine

2-[1-(3-methylquinoxalin-2-yl)imidazol-2-yl]ethanamine (PubChem CID 62408679) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[1-(3-methylquinoxalin-2-yl)imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-methylquinoxalin-2-yl)imidazol-2-yl]ethanamine
PubChem CID62408679
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-[1-(3-methylquinoxalin-2-yl)imidazol-2-yl]ethanamine
SMILESCc1nc2ccccc2nc1-n1ccnc1CCN
InChIInChI=1S/C14H15N5/c1-10-14(19-9-8-16-13(19)6-7-15)18-12-5-3-2-4-11(12)17-10/h2-5,8-9H,6-7,15H2,1H3
InChIKeyIRGRDVKBWQFXSE-UHFFFAOYSA-N
XLogP1.63
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylquinoxalin-2-yl)imidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(3-methylquinoxalin-2-yl)imidazol-2-yl]ethanamine (CID 62408679) is 2-[1-(3-methylquinoxalin-2-yl)imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-methylquinoxalin-2-yl)imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(3-methylquinoxalin-2-yl)imidazol-2-yl]ethanamine is Cc1nc2ccccc2nc1-n1ccnc1CCN.
What is the InChIKey of 2-[1-(3-methylquinoxalin-2-yl)imidazol-2-yl]ethanamine?
The InChIKey is IRGRDVKBWQFXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-10-14(19-9-8-16-13(19)6-7-15)18-12-5-3-2-4-11(12)17-10/h2-5,8-9H,6-7,15H2,1H3.
What are the key properties of 2-[1-(3-methylquinoxalin-2-yl)imidazol-2-yl]ethanamine?
2-[1-(3-methylquinoxalin-2-yl)imidazol-2-yl]ethanamine has a molecular weight of 253.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylquinoxalin-2-yl)imidazol-2-yl]ethanamine is sourced from PubChem (CID 62408679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).