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

C12H13N7 — CID 102987204

IUPAC3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NCCn1ccnn1
InChIInChI=1S/C12H13N7/c13-11-12(14-5-7-19-8-6-15-18-19)17-10-4-2-1-3-9(10)16-11/h1-4,6,8H,5,7H2,(H2,13,16)(H,14,17)
InChIKeyHGWVRKQBSODZLI-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.92
Rot. Bonds4

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

3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine (PubChem CID 102987204) has the molecular formula C12H13N7 and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine
PubChem CID102987204
Molecular FormulaC12H13N7
Molecular Weight255.29 g/mol
Exact Mass255.12
IUPAC Name3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NCCn1ccnn1
InChIInChI=1S/C12H13N7/c13-11-12(14-5-7-19-8-6-15-18-19)17-10-4-2-1-3-9(10)16-11/h1-4,6,8H,5,7H2,(H2,13,16)(H,14,17)
InChIKeyHGWVRKQBSODZLI-UHFFFAOYSA-N
XLogP0.92
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-morpholin-4-yl-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
CID 133449306
3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine
CID 102983953
3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
CID 133449404
3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
CID 133449275
N-[2-(triazol-1-yl)ethyl]-2,1-benzothiazol-3-amine
CID 113375085
3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine
CID 102987406
4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133449329
2-chloro-6-methyl-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-4,5-diamine
CID 114043960
3-N-(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102983552
2-[(3-aminoquinoxalin-2-yl)amino]ethanesulfonamide
CID 102983720
3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine
CID 102983578
4-[(3-aminoquinoxalin-2-yl)amino]butanamide
CID 102983771

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine?
The IUPAC name of 3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine (CID 102987204) is 3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine is Nc1nc2ccccc2nc1NCCn1ccnn1.
What is the InChIKey of 3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine?
The InChIKey is HGWVRKQBSODZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c13-11-12(14-5-7-19-8-6-15-18-19)17-10-4-2-1-3-9(10)16-11/h1-4,6,8H,5,7H2,(H2,13,16)(H,14,17).
What are the key properties of 3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine?
3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine has a molecular weight of 255.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 102987204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).