tert-butyl N-pyrazin-2-ylcarbamate;ethane

C11H19N3O2 — CID 153338007

IUPACtert-butyl N-pyrazin-2-ylcarbamate;ethane
SMILESCC.CC(C)(C)OC(=O)Nc1cnccn1
InChIInChI=1S/C9H13N3O2.C2H6/c1-9(2,3)14-8(13)12-7-6-10-4-5-11-7;1-2/h4-6H,1-3H3,(H,11,12,13);1-2H3
InChIKeySACMQRRJVOTTEP-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.85
Rot. Bonds1

About tert-butyl N-pyrazin-2-ylcarbamate;ethane

tert-butyl N-pyrazin-2-ylcarbamate;ethane (PubChem CID 153338007) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl N-pyrazin-2-ylcarbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-pyrazin-2-ylcarbamate;ethane
PubChem CID153338007
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nametert-butyl N-pyrazin-2-ylcarbamate;ethane
SMILESCC.CC(C)(C)OC(=O)Nc1cnccn1
InChIInChI=1S/C9H13N3O2.C2H6/c1-9(2,3)14-8(13)12-7-6-10-4-5-11-7;1-2/h4-6H,1-3H3,(H,11,12,13);1-2H3
InChIKeySACMQRRJVOTTEP-UHFFFAOYSA-N
XLogP2.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate
CID 122135229
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate;ethane
CID 143167789
2-hydroxy-2-methyl-N-pyrazin-2-ylpropanamide
CID 103429544
tert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate
CID 154762882
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
2,2,2-trichloroethyl N-pyrazin-2-ylcarbamate
CID 68777403
tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate
CID 22493234
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate
CID 175481967
tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane
CID 142453798
(2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide
CID 61154929

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-pyrazin-2-ylcarbamate;ethane?
The IUPAC name of tert-butyl N-pyrazin-2-ylcarbamate;ethane (CID 153338007) is tert-butyl N-pyrazin-2-ylcarbamate;ethane.
What is the SMILES notation for tert-butyl N-pyrazin-2-ylcarbamate;ethane?
The canonical SMILES for tert-butyl N-pyrazin-2-ylcarbamate;ethane is CC.CC(C)(C)OC(=O)Nc1cnccn1.
What is the InChIKey of tert-butyl N-pyrazin-2-ylcarbamate;ethane?
The InChIKey is SACMQRRJVOTTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.C2H6/c1-9(2,3)14-8(13)12-7-6-10-4-5-11-7;1-2/h4-6H,1-3H3,(H,11,12,13);1-2H3.
What are the key properties of tert-butyl N-pyrazin-2-ylcarbamate;ethane?
tert-butyl N-pyrazin-2-ylcarbamate;ethane has a molecular weight of 225.29 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-pyrazin-2-ylcarbamate;ethane is sourced from PubChem (CID 153338007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).