tert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate

C18H23N5O2 — CID 164902950

IUPACtert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate
SMILESCc1nc2n(n1)-c1cccc(NC(=O)OC(C)(C)C)c1N(C)C21CC1
InChIInChI=1S/C18H23N5O2/c1-11-19-15-18(9-10-18)22(5)14-12(20-16(24)25-17(2,3)4)7-6-8-13(14)23(15)21-11/h6-8H,9-10H2,1-5H3,(H,20,24)
InChIKeyYEAAIVWSNQASDM-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.36
Rot. Bonds1

About tert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate

tert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate (PubChem CID 164902950) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is tert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate
PubChem CID164902950
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Nametert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate
SMILESCc1nc2n(n1)-c1cccc(NC(=O)OC(C)(C)C)c1N(C)C21CC1
InChIInChI=1S/C18H23N5O2/c1-11-19-15-18(9-10-18)22(5)14-12(20-16(24)25-17(2,3)4)7-6-8-13(14)23(15)21-11/h6-8H,9-10H2,1-5H3,(H,20,24)
InChIKeyYEAAIVWSNQASDM-UHFFFAOYSA-N
XLogP3.36
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate with MolForge

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Related Compounds

(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamic acid
CID 170348101
tert-butyl N-(8-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)carbamate
CID 164902859
tert-butyl N-(1,2-dimethylindol-7-yl)carbamate
CID 174933976
azane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen
CID 164902537
tert-butyl N-[2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)phenyl]carbamate
CID 162351577
tert-butyl N-(1-aminoindol-4-yl)carbamate
CID 58607316
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(3-morpholin-4-yl-2-nitrophenyl)carbamate
CID 175353189
tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606
tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate
CID 14368463
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
CID 121232357

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate?
The IUPAC name of tert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate (CID 164902950) is tert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate is Cc1nc2n(n1)-c1cccc(NC(=O)OC(C)(C)C)c1N(C)C21CC1.
What is the InChIKey of tert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate?
The InChIKey is YEAAIVWSNQASDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11-19-15-18(9-10-18)22(5)14-12(20-16(24)25-17(2,3)4)7-6-8-13(14)23(15)21-11/h6-8H,9-10H2,1-5H3,(H,20,24).
What are the key properties of tert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate?
tert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate has a molecular weight of 341.42 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate is sourced from PubChem (CID 164902950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).