tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate

C9H13N3O3 — CID 20624434

IUPACtert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-9(2,3)15-8(14)12-6-7(13)11-5-4-10-6/h4-5H,1-3H3,(H,11,13)(H,10,12,14)
InChIKeyJMTZBEFIDNUDDJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.12
Rot. Bonds1

About tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate

tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate (PubChem CID 20624434) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate
PubChem CID20624434
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Nametert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-9(2,3)15-8(14)12-6-7(13)11-5-4-10-6/h4-5H,1-3H3,(H,11,13)(H,10,12,14)
InChIKeyJMTZBEFIDNUDDJ-UHFFFAOYSA-N
XLogP1.12
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-tert-Butoxycarbonyl-1-piperazinyl)-2(1H)-pyrazinone
CID 59013892
Tert-butyl 3-amino-2-oxopyrazine-1-carboxylate
CID 153941977
tert-butyl N-(5-methyl-2-oxo-1H-pyrazin-3-yl)carbamate
CID 164047073
tert-butyl N-[2-(dimethylamino)-2-ethenyliminoethyl]carbamate
CID 167108995
tert-butyl N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]carbamate
CID 103888516
tert-butyl N-[3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propyl]carbamate
CID 103888611
tert-butyl N-[3-[(3-oxo-4-propylpyrazin-2-yl)amino]propyl]carbamate
CID 104933041
tert-butyl N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]carbamate
CID 104933061
tert-butyl N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]carbamate
CID 104933113
tert-butyl N-[2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethyl]carbamate
CID 114518172
tert-butyl N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]carbamate
CID 114518199
tert-butyl N-[2-[(4-methyl-3-oxopyrazin-2-yl)amino]ethyl]carbamate
CID 115657290

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate (CID 20624434) is tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate is CC(C)(C)OC(=O)Nc1ncc[nH]c1=O.
What is the InChIKey of tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate?
The InChIKey is JMTZBEFIDNUDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-9(2,3)15-8(14)12-6-7(13)11-5-4-10-6/h4-5H,1-3H3,(H,11,13)(H,10,12,14).
What are the key properties of tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate?
tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate has a molecular weight of 211.22 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate is sourced from PubChem (CID 20624434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).