tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate

C10H14ClN3O2 — CID 77231610

IUPACtert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cncc(Cl)n1
InChIInChI=1S/C10H14ClN3O2/c1-10(2,3)16-9(15)13-5-7-4-12-6-8(11)14-7/h4,6H,5H2,1-3H3,(H,13,15)
InChIKeyUOLVHJGYSHBODW-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.15
Rot. Bonds2

About tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate

tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate (PubChem CID 77231610) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate
PubChem CID77231610
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Nametert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cncc(Cl)n1
InChIInChI=1S/C10H14ClN3O2/c1-10(2,3)16-9(15)13-5-7-4-12-6-8(11)14-7/h4,6H,5H2,1-3H3,(H,13,15)
InChIKeyUOLVHJGYSHBODW-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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Related Compounds

tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate
CID 170897744
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
tert-butyl N-[[6-(chloromethyl)-2-pyridinyl]methyl]carbamate
CID 131092103
tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate
CID 23404363
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
tert-butyl N-[(6-chloropyrido[3,2-c]pyridazin-3-yl)methyl]carbamate
CID 156818946
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
tert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate
CID 169195889
tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 83300651
tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate
CID 117274297
tert-butyl N-[[5-chloro-4-(difluoromethoxy)-2-pyridinyl]methyl]carbamate
CID 137346829
tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate
CID 177333870

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate (CID 77231610) is tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cncc(Cl)n1.
What is the InChIKey of tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate?
The InChIKey is UOLVHJGYSHBODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-10(2,3)16-9(15)13-5-7-4-12-6-8(11)14-7/h4,6H,5H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate?
tert-butyl N-[(6-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-[(6-chloropyrazin-2-yl)methyl]carbamate is sourced from PubChem (CID 77231610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).