tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate

C12H18N4O3 — CID 122135229

IUPACtert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)Nc1cnccn1
InChIInChI=1S/C12H18N4O3/c1-12(2,3)19-11(18)15-5-4-10(17)16-9-8-13-6-7-14-9/h6-8H,4-5H2,1-3H3,(H,15,18)(H,14,16,17)
InChIKeyUTGCWZUSAMIVOA-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.33
Rot. Bonds4

About tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate

tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate (PubChem CID 122135229) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate
PubChem CID122135229
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nametert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)Nc1cnccn1
InChIInChI=1S/C12H18N4O3/c1-12(2,3)19-11(18)15-5-4-10(17)16-9-8-13-6-7-14-9/h6-8H,4-5H2,1-3H3,(H,15,18)(H,14,16,17)
InChIKeyUTGCWZUSAMIVOA-UHFFFAOYSA-N
XLogP1.33
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-pyrazin-2-ylcarbamate;ethane
CID 153338007
tert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate
CID 154762882
tert-butyl N-[3-[[5-(hydroxymethyl)-2-pyridinyl]amino]-3-oxopropyl]carbamate
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tert-butyl N-[3-[(4-aminopyrimidin-5-yl)amino]-3-oxopropyl]carbamate
CID 70812164
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
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CID 127118096
3-(pyrazin-2-ylcarbamoylamino)propanoic acid
CID 110492132
N-pyrazin-2-ylpentanamide
CID 91469646
5-methoxy-N-pyrazin-2-ylpentanamide
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tert-butyl N-(3-pyrazin-2-ylprop-2-ynyl)carbamate
CID 130869027
tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate
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4-ethoxy-N-pyrazin-2-ylbutanamide
CID 86794503

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate (CID 122135229) is tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)Nc1cnccn1.
What is the InChIKey of tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate?
The InChIKey is UTGCWZUSAMIVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(2,3)19-11(18)15-5-4-10(17)16-9-8-13-6-7-14-9/h6-8H,4-5H2,1-3H3,(H,15,18)(H,14,16,17).
What are the key properties of tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate?
tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate has a molecular weight of 266.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate is sourced from PubChem (CID 122135229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).