tert-butyl N-(8-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)carbamate

C16H20FN5O2 — CID 164902859

IUPACtert-butyl N-(8-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)carbamate
SMILESCc1nc2n(n1)-c1cc(F)cc(NC(=O)OC(C)(C)C)c1N(C)C2
InChIInChI=1S/C16H20FN5O2/c1-9-18-13-8-21(5)14-11(19-15(23)24-16(2,3)4)6-10(17)7-12(14)22(13)20-9/h6-7H,8H2,1-5H3,(H,19,23)
InChIKeyUCDQRJGVFYBWSS-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.01
Rot. Bonds1

About tert-butyl N-(8-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)carbamate

tert-butyl N-(8-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)carbamate (PubChem CID 164902859) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is tert-butyl N-(8-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(8-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)carbamate
PubChem CID164902859
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Nametert-butyl N-(8-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)carbamate
SMILESCc1nc2n(n1)-c1cc(F)cc(NC(=O)OC(C)(C)C)c1N(C)C2
InChIInChI=1S/C16H20FN5O2/c1-9-18-13-8-21(5)14-11(19-15(23)24-16(2,3)4)6-10(17)7-12(14)22(13)20-9/h6-7H,8H2,1-5H3,(H,19,23)
InChIKeyUCDQRJGVFYBWSS-UHFFFAOYSA-N
XLogP3.01
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-(8-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)carbamate with MolForge

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Related Compounds

(8-fluoro-2,5-dimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl)carbamic acid
CID 174240079
tert-butyl N-(4,8-dimethyl-3-oxo-2,4,5,8,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,10,12-tetraen-10-yl)carbamate
CID 164902585
tert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate
CID 164902950
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-(2,3,5-trifluoro-4-methylphenyl)carbamate
CID 170026832
tert-butyl N-(5-bromo-2,3-difluoro-4-methylphenyl)carbamate
CID 169077590
tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
tert-butyl N-(5-fluoro-4,6-dimethyl-3-pyridinyl)carbamate;ethane
CID 156715468
methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
azane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen
CID 164902537
tert-butyl N-[6-fluoro-2-(2-iodoethyl)indazol-5-yl]carbamate
CID 164567715
tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
CID 107240717

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)carbamate?
The IUPAC name of tert-butyl N-(8-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)carbamate (CID 164902859) is tert-butyl N-(8-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(8-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(8-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)carbamate is Cc1nc2n(n1)-c1cc(F)cc(NC(=O)OC(C)(C)C)c1N(C)C2.
What is the InChIKey of tert-butyl N-(8-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)carbamate?
The InChIKey is UCDQRJGVFYBWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-9-18-13-8-21(5)14-11(19-15(23)24-16(2,3)4)6-10(17)7-12(14)22(13)20-9/h6-7H,8H2,1-5H3,(H,19,23).
What are the key properties of tert-butyl N-(8-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)carbamate?
tert-butyl N-(8-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)carbamate has a molecular weight of 333.37 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)carbamate is sourced from PubChem (CID 164902859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).