tert-butyl N-(2-oxopyrazin-1-yl)carbamate

C9H13N3O3 — CID 141415282

IUPACtert-butyl N-(2-oxopyrazin-1-yl)carbamate
SMILESCC(C)(C)OC(=O)Nn1ccncc1=O
InChIInChI=1S/C9H13N3O3/c1-9(2,3)15-8(14)11-12-5-4-10-6-7(12)13/h4-6H,1-3H3,(H,11,14)
InChIKeyXWFNOVBECFWNGN-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.72
Rot. Bonds1

About tert-butyl N-(2-oxopyrazin-1-yl)carbamate

tert-butyl N-(2-oxopyrazin-1-yl)carbamate (PubChem CID 141415282) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is tert-butyl N-(2-oxopyrazin-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxopyrazin-1-yl)carbamate
PubChem CID141415282
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Nametert-butyl N-(2-oxopyrazin-1-yl)carbamate
SMILESCC(C)(C)OC(=O)Nn1ccncc1=O
InChIInChI=1S/C9H13N3O3/c1-9(2,3)15-8(14)11-12-5-4-10-6-7(12)13/h4-6H,1-3H3,(H,11,14)
InChIKeyXWFNOVBECFWNGN-UHFFFAOYSA-N
XLogP0.72
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(2-oxopyrazin-1-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

tert-butyl N-imidazol-1-ylcarbamate
CID 67503265
tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate
CID 177333870
ethyl (Z)-3-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]prop-2-enoate
CID 155456628
2-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-3-carboxylic acid
CID 166680320
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
tert-butyl N-pyrazin-2-ylcarbamate;ethane
CID 153338007
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoic acid
CID 2761784
tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate
CID 22493234
tert-butyl N-(1-pyridin-3-ylethenylamino)carbamate
CID 2589873
tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate
CID 19871466
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-2-carboxylate
CID 175780669

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxopyrazin-1-yl)carbamate?
The IUPAC name of tert-butyl N-(2-oxopyrazin-1-yl)carbamate (CID 141415282) is tert-butyl N-(2-oxopyrazin-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxopyrazin-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxopyrazin-1-yl)carbamate is CC(C)(C)OC(=O)Nn1ccncc1=O.
What is the InChIKey of tert-butyl N-(2-oxopyrazin-1-yl)carbamate?
The InChIKey is XWFNOVBECFWNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-9(2,3)15-8(14)11-12-5-4-10-6-7(12)13/h4-6H,1-3H3,(H,11,14).
What are the key properties of tert-butyl N-(2-oxopyrazin-1-yl)carbamate?
tert-butyl N-(2-oxopyrazin-1-yl)carbamate has a molecular weight of 211.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxopyrazin-1-yl)carbamate is sourced from PubChem (CID 141415282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).