3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine

C13H14N6 — CID 102983953

IUPAC3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NCCn1ccnc1
InChIInChI=1S/C13H14N6/c14-12-13(16-6-8-19-7-5-15-9-19)18-11-4-2-1-3-10(11)17-12/h1-5,7,9H,6,8H2,(H2,14,17)(H,16,18)
InChIKeyTZAKMDPPPCGVFA-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.52
Rot. Bonds4

About 3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine

3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine (PubChem CID 102983953) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine
PubChem CID102983953
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NCCn1ccnc1
InChIInChI=1S/C13H14N6/c14-12-13(16-6-8-19-7-5-15-9-19)18-11-4-2-1-3-10(11)17-12/h1-5,7,9H,6,8H2,(H2,14,17)(H,16,18)
InChIKeyTZAKMDPPPCGVFA-UHFFFAOYSA-N
XLogP1.52
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine
CID 102987204
2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325096
4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80808824
3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine
CID 102987406
2-chloro-1-N-(2-imidazol-1-ylethyl)benzene-1,4-diamine
CID 61324074
3-chloro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325720
3-(3-imidazol-1-ylpropyl)quinolin-2-amine
CID 67942243
3-N-(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102983552
N-(2-imidazol-1-ylethyl)pyrimidin-4-amine
CID 61325111
2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine
CID 66280404
4-N-(1,3-benzothiazol-2-yl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19146041
4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine
CID 11427474

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine (CID 102983953) is 3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine is Nc1nc2ccccc2nc1NCCn1ccnc1.
What is the InChIKey of 3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine?
The InChIKey is TZAKMDPPPCGVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c14-12-13(16-6-8-19-7-5-15-9-19)18-11-4-2-1-3-10(11)17-12/h1-5,7,9H,6,8H2,(H2,14,17)(H,16,18).
What are the key properties of 3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine?
3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102983953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).