tert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate

C10H14ClN3O2 — CID 73013069

IUPACtert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnc(Cl)cn1
InChIInChI=1S/C10H14ClN3O2/c1-10(2,3)16-9(15)14-5-7-4-13-8(11)6-12-7/h4,6H,5H2,1-3H3,(H,14,15)
InChIKeyFXTHKNGERJHEQO-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.15
Rot. Bonds2

About tert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate

tert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate (PubChem CID 73013069) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is tert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate
PubChem CID73013069
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Nametert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnc(Cl)cn1
InChIInChI=1S/C10H14ClN3O2/c1-10(2,3)16-9(15)14-5-7-4-13-8(11)6-12-7/h4,6H,5H2,1-3H3,(H,14,15)
InChIKeyFXTHKNGERJHEQO-UHFFFAOYSA-N
XLogP2.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate (CID 73013069) is tert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cnc(Cl)cn1.
What is the InChIKey of tert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate?
The InChIKey is FXTHKNGERJHEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-10(2,3)16-9(15)14-5-7-4-13-8(11)6-12-7/h4,6H,5H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate?
tert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate has a molecular weight of 243.69 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate is sourced from PubChem (CID 73013069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).