N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate

C6H5ClN3O3- — CID 21275891

IUPACN-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate
SMILESCn1cc(Cl)nc(NC(=O)[O-])c1=O
InChIInChI=1S/C6H6ClN3O3/c1-10-2-3(7)8-4(5(10)11)9-6(12)13/h2H,1H3,(H,8,9)(H,12,13)/p-1
InChIKeyYJJAYGKJRPGUGR-UHFFFAOYSA-M
MW202.58 g/mol
LogP-0.81
Rot. Bonds1

About N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate

N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate (PubChem CID 21275891) has the molecular formula C6H5ClN3O3- and a molecular weight of 202.58 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate
PubChem CID21275891
Molecular FormulaC6H5ClN3O3-
Molecular Weight202.58 g/mol
Exact Mass202.00
IUPAC NameN-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate
SMILESCn1cc(Cl)nc(NC(=O)[O-])c1=O
InChIInChI=1S/C6H6ClN3O3/c1-10-2-3(7)8-4(5(10)11)9-6(12)13/h2H,1H3,(H,8,9)(H,12,13)/p-1
InChIKeyYJJAYGKJRPGUGR-UHFFFAOYSA-M
XLogP-0.81
TPSA87.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.58
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate?
The IUPAC name of N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate (CID 21275891) is N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate.
What is the SMILES notation for N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate?
The canonical SMILES for N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate is Cn1cc(Cl)nc(NC(=O)[O-])c1=O.
What is the InChIKey of N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate?
The InChIKey is YJJAYGKJRPGUGR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6ClN3O3/c1-10-2-3(7)8-4(5(10)11)9-6(12)13/h2H,1H3,(H,8,9)(H,12,13)/p-1.
What are the key properties of N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate?
N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate has a molecular weight of 202.58 g/mol, XLogP of -0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate is sourced from PubChem (CID 21275891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).