tert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate

C20H28N6O2 — CID 146342120

IUPACtert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate
SMILESCc1nnc2c(NCCCCCNC(=O)OC(C)(C)C)nc3ccccc3n12
InChIInChI=1S/C20H28N6O2/c1-14-24-25-18-17(23-15-10-6-7-11-16(15)26(14)18)21-12-8-5-9-13-22-19(27)28-20(2,3)4/h6-7,10-11H,5,8-9,12-13H2,1-4H3,(H,21,23)(H,22,27)
InChIKeyAHHMWQPDJMNSQD-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.69
Rot. Bonds7

About tert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate

tert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate (PubChem CID 146342120) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is tert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate
PubChem CID146342120
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Nametert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate
SMILESCc1nnc2c(NCCCCCNC(=O)OC(C)(C)C)nc3ccccc3n12
InChIInChI=1S/C20H28N6O2/c1-14-24-25-18-17(23-15-10-6-7-11-16(15)26(14)18)21-12-8-5-9-13-22-19(27)28-20(2,3)4/h6-7,10-11H,5,8-9,12-13H2,1-4H3,(H,21,23)(H,22,27)
InChIKeyAHHMWQPDJMNSQD-UHFFFAOYSA-N
XLogP3.69
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate with MolForge

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Related Compounds

N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]acetamide
CID 146342013
tert-butyl N-[4-[(7-amino-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]carbamate
CID 142746123
1-tert-butyl-3-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]urea
CID 142746083
tert-butyl N-[4-[(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]carbamate
CID 135276476
4-chloro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]benzamide
CID 142745847
tert-butyl 6-[(1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]hexanoate
CID 162164022
tert-butyl 6-[[1-methyl-7-(2-phenylacetyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]hexanoate
CID 162221100
tert-butyl 6-[(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]hexanoate
CID 160504434
(2R)-2-hydroxy-3-methyl-N-[4-[[1-methyl-7-(1-methylbenzimidazol-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]butanamide
CID 142746066
4-[(7-ethoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butylcarbamic acid
CID 146314889
propan-2-yl N-[5-[(7,8-dimethoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate
CID 142746057
tert-butyl N-[(2S)-1-[4-[[7-(2,6-dimethylmorpholin-4-yl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 142746089

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate (CID 146342120) is tert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate is Cc1nnc2c(NCCCCCNC(=O)OC(C)(C)C)nc3ccccc3n12.
What is the InChIKey of tert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate?
The InChIKey is AHHMWQPDJMNSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-14-24-25-18-17(23-15-10-6-7-11-16(15)26(14)18)21-12-8-5-9-13-22-19(27)28-20(2,3)4/h6-7,10-11H,5,8-9,12-13H2,1-4H3,(H,21,23)(H,22,27).
What are the key properties of tert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate?
tert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate has a molecular weight of 384.48 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate is sourced from PubChem (CID 146342120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).