(3-chloropyrazin-2-yl) N-methylcarbamate

C6H6ClN3O2 — CID 155230381

IUPAC(3-chloropyrazin-2-yl) N-methylcarbamate
SMILESCNC(=O)Oc1nccnc1Cl
InChIInChI=1S/C6H6ClN3O2/c1-8-6(11)12-5-4(7)9-2-3-10-5/h2-3H,1H3,(H,8,11)
InChIKeySQXJWPUDTQWUOI-UHFFFAOYSA-N
MW187.59 g/mol
LogP0.85
Rot. Bonds1

About (3-chloropyrazin-2-yl) N-methylcarbamate

(3-chloropyrazin-2-yl) N-methylcarbamate (PubChem CID 155230381) has the molecular formula C6H6ClN3O2 and a molecular weight of 187.59 g/mol. Its IUPAC name is (3-chloropyrazin-2-yl) N-methylcarbamate.

Molecular Properties

Compound Name(3-chloropyrazin-2-yl) N-methylcarbamate
PubChem CID155230381
Molecular FormulaC6H6ClN3O2
Molecular Weight187.59 g/mol
Exact Mass187.01
IUPAC Name(3-chloropyrazin-2-yl) N-methylcarbamate
SMILESCNC(=O)Oc1nccnc1Cl
InChIInChI=1S/C6H6ClN3O2/c1-8-6(11)12-5-4(7)9-2-3-10-5/h2-3H,1H3,(H,8,11)
InChIKeySQXJWPUDTQWUOI-UHFFFAOYSA-N
XLogP0.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chloropyrazin-2-yl) N-methylcarbamate?
The IUPAC name of (3-chloropyrazin-2-yl) N-methylcarbamate (CID 155230381) is (3-chloropyrazin-2-yl) N-methylcarbamate.
What is the SMILES notation for (3-chloropyrazin-2-yl) N-methylcarbamate?
The canonical SMILES for (3-chloropyrazin-2-yl) N-methylcarbamate is CNC(=O)Oc1nccnc1Cl.
What is the InChIKey of (3-chloropyrazin-2-yl) N-methylcarbamate?
The InChIKey is SQXJWPUDTQWUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2/c1-8-6(11)12-5-4(7)9-2-3-10-5/h2-3H,1H3,(H,8,11).
What are the key properties of (3-chloropyrazin-2-yl) N-methylcarbamate?
(3-chloropyrazin-2-yl) N-methylcarbamate has a molecular weight of 187.59 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrazin-2-yl) N-methylcarbamate is sourced from PubChem (CID 155230381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).