N-cyclohexyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C17H21N5 — CID 14280615

IUPACN-cyclohexyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(NC3CCCCC3)nc3ccccc3n12
InChIInChI=1S/C17H21N5/c1-2-15-20-21-17-16(18-12-8-4-3-5-9-12)19-13-10-6-7-11-14(13)22(15)17/h6-7,10-12H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyGZQMFIUMWTVDOG-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.58
Rot. Bonds3

About N-cyclohexyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N-cyclohexyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 14280615) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-cyclohexyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID14280615
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN-cyclohexyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(NC3CCCCC3)nc3ccccc3n12
InChIInChI=1S/C17H21N5/c1-2-15-20-21-17-16(18-12-8-4-3-5-9-12)19-13-10-6-7-11-14(13)22(15)17/h6-7,10-12H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyGZQMFIUMWTVDOG-UHFFFAOYSA-N
XLogP3.58
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-cyclohexyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 14280615) is N-cyclohexyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-cyclohexyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-cyclohexyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCc1nnc2c(NC3CCCCC3)nc3ccccc3n12.
What is the InChIKey of N-cyclohexyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is GZQMFIUMWTVDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-2-15-20-21-17-16(18-12-8-4-3-5-9-12)19-13-10-6-7-11-14(13)22(15)17/h6-7,10-12H,2-5,8-9H2,1H3,(H,18,19).
What are the key properties of N-cyclohexyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-cyclohexyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 295.39 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 14280615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).