3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine

C13H14N6 — CID 102987384

IUPAC3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NCCc1ncc[nH]1
InChIInChI=1S/C13H14N6/c14-12-13(17-6-5-11-15-7-8-16-11)19-10-4-2-1-3-9(10)18-12/h1-4,7-8H,5-6H2,(H2,14,18)(H,15,16)(H,17,19)
InChIKeyCXZTVHZNSNKCRI-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.59
Rot. Bonds4

About 3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine

3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine (PubChem CID 102987384) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine
PubChem CID102987384
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NCCc1ncc[nH]1
InChIInChI=1S/C13H14N6/c14-12-13(17-6-5-11-15-7-8-16-11)19-10-4-2-1-3-9(10)18-12/h1-4,7-8H,5-6H2,(H2,14,18)(H,15,16)(H,17,19)
InChIKeyCXZTVHZNSNKCRI-UHFFFAOYSA-N
XLogP1.59
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine
CID 102984316
3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine
CID 102987406
2-[(3-aminoquinoxalin-2-yl)amino]ethanesulfonamide
CID 102983720
3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine
CID 102983578
3-N-(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102983552
3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 106196800
4-[(3-aminoquinoxalin-2-yl)amino]butanamide
CID 102983771
4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115751977
N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115620186
3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine
CID 102983953
3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine
CID 102987204
5-[(3-aminoquinoxalin-2-yl)amino]pentanamide
CID 106241523

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine?
The IUPAC name of 3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine (CID 102987384) is 3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine is Nc1nc2ccccc2nc1NCCc1ncc[nH]1.
What is the InChIKey of 3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine?
The InChIKey is CXZTVHZNSNKCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c14-12-13(17-6-5-11-15-7-8-16-11)19-10-4-2-1-3-9(10)18-12/h1-4,7-8H,5-6H2,(H2,14,18)(H,15,16)(H,17,19).
What are the key properties of 3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine?
3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 102987384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).