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

C15H20N6O3 — CID 164902585

IUPACtert-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
SMILESCN1Cc2nn(C)c(=O)n2-c2cncc(NC(=O)OC(C)(C)C)c21
InChIInChI=1S/C15H20N6O3/c1-15(2,3)24-13(22)17-9-6-16-7-10-12(9)19(4)8-11-18-20(5)14(23)21(10)11/h6-7H,8H2,1-5H3,(H,17,22)
InChIKeyORLALNNTKYFNPX-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.26
Rot. Bonds1

About 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

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 (PubChem CID 164902585) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID164902585
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Nametert-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
SMILESCN1Cc2nn(C)c(=O)n2-c2cncc(NC(=O)OC(C)(C)C)c21
InChIInChI=1S/C15H20N6O3/c1-15(2,3)24-13(22)17-9-6-16-7-10-12(9)19(4)8-11-18-20(5)14(23)21(10)11/h6-7H,8H2,1-5H3,(H,17,22)
InChIKeyORLALNNTKYFNPX-UHFFFAOYSA-N
XLogP1.26
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 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
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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-(1,5-dimethylpyrazol-4-yl)carbamate
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tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate
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tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648
tert-butyl N-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384087
1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid
CID 83387273
tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384262
azane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen
CID 164902537
methyl (E)-4-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazol-5-yl]but-3-enoate
CID 134607430
tert-butyl N-(4-aminopyrimidin-5-yl)carbamate
CID 45092116
tert-butyl N-[3-(1-chlorocyclopropyl)-4-pyridinyl]carbamate
CID 171497546

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1Cc2nn(C)c(=O)n2-c2cncc(NC(=O)OC(C)(C)C)c21.
What is the InChIKey of 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?
The InChIKey is ORLALNNTKYFNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-15(2,3)24-13(22)17-9-6-16-7-10-12(9)19(4)8-11-18-20(5)14(23)21(10)11/h6-7H,8H2,1-5H3,(H,17,22).
What are the key properties of 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?
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 has a molecular weight of 332.36 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164902585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).