azane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen

C14H26N6O2 — CID 164902537

IUPACazane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen
SMILESN.[H]/N=C1\CN(C)c2c(NC(=O)OC(C)(C)C)cccc2N1N.[H][H]
InChIInChI=1S/C14H21N5O2.H3N.H2/c1-14(2,3)21-13(20)17-9-6-5-7-10-12(9)18(4)8-11(15)19(10)16;;/h5-7,15H,8,16H2,1-4H3,(H,17,20);1H3;1H/b15-11+;;
InChIKeyVUBJTDASDVEWBJ-BXGYHSFXSA-N
MW310.40 g/mol
LogP2.55
Rot. Bonds1

About azane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen

azane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen (PubChem CID 164902537) has the molecular formula C14H26N6O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is azane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen.

Molecular Properties

Compound Nameazane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen
PubChem CID164902537
Molecular FormulaC14H26N6O2
Molecular Weight310.40 g/mol
Exact Mass310.21
IUPAC Nameazane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen
SMILESN.[H]/N=C1\CN(C)c2c(NC(=O)OC(C)(C)C)cccc2N1N.[H][H]
InChIInChI=1S/C14H21N5O2.H3N.H2/c1-14(2,3)21-13(20)17-9-6-5-7-10-12(9)18(4)8-11(15)19(10)16;;/h5-7,15H,8,16H2,1-4H3,(H,17,20);1H3;1H/b15-11+;;
InChIKeyVUBJTDASDVEWBJ-BXGYHSFXSA-N
XLogP2.55
TPSA129.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(1-aminoindol-4-yl)carbamate
CID 58607316
tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen
CID 158506120
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-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen
CID 164902583
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(1,2-dimethylindol-7-yl)carbamate
CID 174933976
tert-butyl N-(3-amino-2-chlorophenyl)carbamate
CID 130506591
tert-butyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrazolidine-1-carboxylate
CID 18694366
tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606
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-(3-morpholin-4-yl-2-nitrophenyl)carbamate
CID 175353189

Frequently Asked Questions

What is the IUPAC name of azane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen?
The IUPAC name of azane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen (CID 164902537) is azane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen.
What is the SMILES notation for azane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen?
The canonical SMILES for azane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen is N.[H]/N=C1\CN(C)c2c(NC(=O)OC(C)(C)C)cccc2N1N.[H][H].
What is the InChIKey of azane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen?
The InChIKey is VUBJTDASDVEWBJ-BXGYHSFXSA-N. The full InChI is InChI=1S/C14H21N5O2.H3N.H2/c1-14(2,3)21-13(20)17-9-6-5-7-10-12(9)18(4)8-11(15)19(10)16;;/h5-7,15H,8,16H2,1-4H3,(H,17,20);1H3;1H/b15-11+;;.
What are the key properties of azane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen?
azane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen has a molecular weight of 310.40 g/mol, XLogP of 2.55, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen is sourced from PubChem (CID 164902537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).