tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate

C12H18N4O2 — CID 66570422

IUPACtert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CN(c2cnccn2)C1
InChIInChI=1S/C12H18N4O2/c1-12(2,3)18-11(17)15-9-7-16(8-9)10-6-13-4-5-14-10/h4-6,9H,7-8H2,1-3H3,(H,15,17)
InChIKeyHXCNQWANHGLRBM-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.19
Rot. Bonds2

About tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate

tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate (PubChem CID 66570422) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate
PubChem CID66570422
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Nametert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CN(c2cnccn2)C1
InChIInChI=1S/C12H18N4O2/c1-12(2,3)18-11(17)15-9-7-16(8-9)10-6-13-4-5-14-10/h4-6,9H,7-8H2,1-3H3,(H,15,17)
InChIKeyHXCNQWANHGLRBM-UHFFFAOYSA-N
XLogP1.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(5-bromo-2-pyridinyl)azetidin-3-yl]carbamate
CID 172529779
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate
CID 131747678
tert-butyl N-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]carbamate
CID 133470611
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360
tert-butyl N-[(3R)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]carbamate
CID 97175522
tert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate
CID 58547859
tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 18667607
tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]azetidin-3-yl]carbamate
CID 175419835
tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460397
tert-butyl N-[1-(4-amino-2-pyridinyl)piperidin-3-yl]carbamate
CID 91811841
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 95735597

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate (CID 66570422) is tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CN(c2cnccn2)C1.
What is the InChIKey of tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate?
The InChIKey is HXCNQWANHGLRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2,3)18-11(17)15-9-7-16(8-9)10-6-13-4-5-14-10/h4-6,9H,7-8H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate?
tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate is sourced from PubChem (CID 66570422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).