7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine

C12H11BrN6 — CID 166400280

IUPAC7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine
SMILESC[C@@H](Nc1cnc2ccc(Br)cc2n1)c1ncn[nH]1
InChIInChI=1S/C12H11BrN6/c1-7(12-15-6-16-19-12)17-11-5-14-9-3-2-8(13)4-10(9)18-11/h2-7H,1H3,(H,17,18)(H,15,16,19)/t7-/m1/s1
InChIKeyFOLBENXRLLDCND-SSDOTTSWSA-N
MW319.17 g/mol
LogP2.68
Rot. Bonds3

About 7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine

7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine (PubChem CID 166400280) has the molecular formula C12H11BrN6 and a molecular weight of 319.17 g/mol. Its IUPAC name is 7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine.

Molecular Properties

Compound Name7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine
PubChem CID166400280
Molecular FormulaC12H11BrN6
Molecular Weight319.17 g/mol
Exact Mass318.02
IUPAC Name7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine
SMILESC[C@@H](Nc1cnc2ccc(Br)cc2n1)c1ncn[nH]1
InChIInChI=1S/C12H11BrN6/c1-7(12-15-6-16-19-12)17-11-5-14-9-3-2-8(13)4-10(9)18-11/h2-7H,1H3,(H,17,18)(H,15,16,19)/t7-/m1/s1
InChIKeyFOLBENXRLLDCND-SSDOTTSWSA-N
XLogP2.68
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine with MolForge

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Related Compounds

3-bromo-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106282907
6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine
CID 77191902
6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106283004
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103885398
2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281139
4-bromo-2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenol
CID 114167887
6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106282777
2-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3H-benzimidazole-2,5-diamine
CID 106281242
2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104878265
6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 114168104
6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106282952
2-tert-butyl-6-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 114168057

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine?
The IUPAC name of 7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine (CID 166400280) is 7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine.
What is the SMILES notation for 7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine?
The canonical SMILES for 7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine is C[C@@H](Nc1cnc2ccc(Br)cc2n1)c1ncn[nH]1.
What is the InChIKey of 7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine?
The InChIKey is FOLBENXRLLDCND-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H11BrN6/c1-7(12-15-6-16-19-12)17-11-5-14-9-3-2-8(13)4-10(9)18-11/h2-7H,1H3,(H,17,18)(H,15,16,19)/t7-/m1/s1.
What are the key properties of 7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine?
7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine has a molecular weight of 319.17 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine is sourced from PubChem (CID 166400280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).