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

C12H10ClN3O3 — CID 57310459

IUPACphenyl N-chloro-N-(4-methyl-3-oxopyrazin-2-yl)carbamate
SMILESCn1ccnc(N(Cl)C(=O)Oc2ccccc2)c1=O
InChIInChI=1S/C12H10ClN3O3/c1-15-8-7-14-10(11(15)17)16(13)12(18)19-9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyQHYCNMMERXHBDG-UHFFFAOYSA-N
MW279.68 g/mol
LogP1.94
Rot. Bonds2

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

phenyl N-chloro-N-(4-methyl-3-oxopyrazin-2-yl)carbamate (PubChem CID 57310459) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is phenyl N-chloro-N-(4-methyl-3-oxopyrazin-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-chloro-N-(4-methyl-3-oxopyrazin-2-yl)carbamate
PubChem CID57310459
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Namephenyl N-chloro-N-(4-methyl-3-oxopyrazin-2-yl)carbamate
SMILESCn1ccnc(N(Cl)C(=O)Oc2ccccc2)c1=O
InChIInChI=1S/C12H10ClN3O3/c1-15-8-7-14-10(11(15)17)16(13)12(18)19-9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyQHYCNMMERXHBDG-UHFFFAOYSA-N
XLogP1.94
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl N-chloro-N-(4-methyl-3-oxopyrazin-2-yl)carbamate?
The IUPAC name of phenyl N-chloro-N-(4-methyl-3-oxopyrazin-2-yl)carbamate (CID 57310459) is phenyl N-chloro-N-(4-methyl-3-oxopyrazin-2-yl)carbamate.
What is the SMILES notation for phenyl N-chloro-N-(4-methyl-3-oxopyrazin-2-yl)carbamate?
The canonical SMILES for phenyl N-chloro-N-(4-methyl-3-oxopyrazin-2-yl)carbamate is Cn1ccnc(N(Cl)C(=O)Oc2ccccc2)c1=O.
What is the InChIKey of phenyl N-chloro-N-(4-methyl-3-oxopyrazin-2-yl)carbamate?
The InChIKey is QHYCNMMERXHBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c1-15-8-7-14-10(11(15)17)16(13)12(18)19-9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of phenyl N-chloro-N-(4-methyl-3-oxopyrazin-2-yl)carbamate?
phenyl N-chloro-N-(4-methyl-3-oxopyrazin-2-yl)carbamate has a molecular weight of 279.68 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-chloro-N-(4-methyl-3-oxopyrazin-2-yl)carbamate is sourced from PubChem (CID 57310459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).