tert-butyl N-(3-pyrazin-2-ylprop-2-ynyl)carbamate

C12H15N3O2 — CID 130869027

IUPACtert-butyl N-(3-pyrazin-2-ylprop-2-ynyl)carbamate
SMILESCC(C)(C)OC(=O)NCC#Cc1cnccn1
InChIInChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-6-4-5-10-9-13-7-8-14-10/h7-9H,6H2,1-3H3,(H,15,16)
InChIKeyGHIYBXUZFKLZKU-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.35
Rot. Bonds1

About tert-butyl N-(3-pyrazin-2-ylprop-2-ynyl)carbamate

tert-butyl N-(3-pyrazin-2-ylprop-2-ynyl)carbamate (PubChem CID 130869027) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is tert-butyl N-(3-pyrazin-2-ylprop-2-ynyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-pyrazin-2-ylprop-2-ynyl)carbamate
PubChem CID130869027
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Nametert-butyl N-(3-pyrazin-2-ylprop-2-ynyl)carbamate
SMILESCC(C)(C)OC(=O)NCC#Cc1cnccn1
InChIInChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-6-4-5-10-9-13-7-8-14-10/h7-9H,6H2,1-3H3,(H,15,16)
InChIKeyGHIYBXUZFKLZKU-UHFFFAOYSA-N
XLogP1.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
tert-butyl N-[3-(4-pyrimidin-5-yl-3-pyridinyl)prop-2-ynyl]carbamate
CID 151276183
tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate
CID 122135229
tert-butyl N-[3-[4-(furan-3-yl)-3-pyridinyl]prop-2-ynyl]carbamate
CID 150794134
tert-butyl N-(3-isoquinolin-4-ylprop-2-ynyl)carbamate
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tert-butyl N-pyrazin-2-ylcarbamate;ethane
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tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
tert-butyl (2R)-2-hydroxy-3-[4-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]-3-pyridinyl]phenoxy]propanoate
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tert-butyl N-(3-quinolin-6-ylprop-2-ynyl)carbamate
CID 11687791
tert-butyl N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]carbamate
CID 90552009
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-ynyl]carbamate
CID 121231499
tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate
CID 108918789

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-pyrazin-2-ylprop-2-ynyl)carbamate?
The IUPAC name of tert-butyl N-(3-pyrazin-2-ylprop-2-ynyl)carbamate (CID 130869027) is tert-butyl N-(3-pyrazin-2-ylprop-2-ynyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-pyrazin-2-ylprop-2-ynyl)carbamate?
The canonical SMILES for tert-butyl N-(3-pyrazin-2-ylprop-2-ynyl)carbamate is CC(C)(C)OC(=O)NCC#Cc1cnccn1.
What is the InChIKey of tert-butyl N-(3-pyrazin-2-ylprop-2-ynyl)carbamate?
The InChIKey is GHIYBXUZFKLZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-6-4-5-10-9-13-7-8-14-10/h7-9H,6H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(3-pyrazin-2-ylprop-2-ynyl)carbamate?
tert-butyl N-(3-pyrazin-2-ylprop-2-ynyl)carbamate has a molecular weight of 233.27 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-pyrazin-2-ylprop-2-ynyl)carbamate is sourced from PubChem (CID 130869027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).