tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate

C15H17N3O2 — CID 22493234

IUPACtert-butyl N-(2-pyrazin-2-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1-c1cnccn1
InChIInChI=1S/C15H17N3O2/c1-15(2,3)20-14(19)18-12-7-5-4-6-11(12)13-10-16-8-9-17-13/h4-10H,1-3H3,(H,18,19)
InChIKeySBLXJQPRMXGOJA-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.49
Rot. Bonds2

About tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate

tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate (PubChem CID 22493234) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-pyrazin-2-ylphenyl)carbamate
PubChem CID22493234
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nametert-butyl N-(2-pyrazin-2-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1-c1cnccn1
InChIInChI=1S/C15H17N3O2/c1-15(2,3)20-14(19)18-12-7-5-4-6-11(12)13-10-16-8-9-17-13/h4-10H,1-3H3,(H,18,19)
InChIKeySBLXJQPRMXGOJA-UHFFFAOYSA-N
XLogP3.49
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate (CID 22493234) is tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate is CC(C)(C)OC(=O)Nc1ccccc1-c1cnccn1.
What is the InChIKey of tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate?
The InChIKey is SBLXJQPRMXGOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(2,3)20-14(19)18-12-7-5-4-6-11(12)13-10-16-8-9-17-13/h4-10H,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate?
tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate has a molecular weight of 271.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate is sourced from PubChem (CID 22493234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).