3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine

C11H11N5 — CID 45038124

IUPAC3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine
SMILESCc1cnc2ccc3c(n[13c](N)n3C)c2n1
InChIInChI=1S/C11H11N5/c1-6-5-13-7-3-4-8-10(9(7)14-6)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15)/i11+1
InChIKeyDVCCCQNKIYNAKB-KHWBWMQUSA-N
MW214.24 g/mol
LogP1.41
Rot. Bonds

About 3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine

3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine (PubChem CID 45038124) has the molecular formula C11H11N5 and a molecular weight of 214.24 g/mol. Its IUPAC name is 3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine.

Molecular Properties

Compound Name3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine
PubChem CID45038124
Molecular FormulaC11H11N5
Molecular Weight214.24 g/mol
Exact Mass214.10
IUPAC Name3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine
SMILESCc1cnc2ccc3c(n[13c](N)n3C)c2n1
InChIInChI=1S/C11H11N5/c1-6-5-13-7-3-4-8-10(9(7)14-6)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15)/i11+1
InChIKeyDVCCCQNKIYNAKB-KHWBWMQUSA-N
XLogP1.41
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine?
The IUPAC name of 3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine (CID 45038124) is 3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine.
What is the SMILES notation for 3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine?
The canonical SMILES for 3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine is Cc1cnc2ccc3c(n[13c](N)n3C)c2n1.
What is the InChIKey of 3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine?
The InChIKey is DVCCCQNKIYNAKB-KHWBWMQUSA-N. The full InChI is InChI=1S/C11H11N5/c1-6-5-13-7-3-4-8-10(9(7)14-6)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15)/i11+1.
What are the key properties of 3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine?
3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine has a molecular weight of 214.24 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine is sourced from PubChem (CID 45038124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).