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

C12H10ClN3O3 — CID 14350431

IUPACphenyl N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate
SMILESCn1cc(Cl)nc(NC(=O)Oc2ccccc2)c1=O
InChIInChI=1S/C12H10ClN3O3/c1-16-7-9(13)14-10(11(16)17)15-12(18)19-8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15,18)
InChIKeyZSZFXNRQOYCIID-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.04
Rot. Bonds2

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

phenyl N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate (PubChem CID 14350431) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is phenyl N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate
PubChem CID14350431
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Namephenyl N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate
SMILESCn1cc(Cl)nc(NC(=O)Oc2ccccc2)c1=O
InChIInChI=1S/C12H10ClN3O3/c1-16-7-9(13)14-10(11(16)17)15-12(18)19-8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15,18)
InChIKeyZSZFXNRQOYCIID-UHFFFAOYSA-N
XLogP2.04
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate?
The IUPAC name of phenyl N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate (CID 14350431) is phenyl N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate.
What is the SMILES notation for phenyl N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate?
The canonical SMILES for phenyl N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate is Cn1cc(Cl)nc(NC(=O)Oc2ccccc2)c1=O.
What is the InChIKey of phenyl N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate?
The InChIKey is ZSZFXNRQOYCIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c1-16-7-9(13)14-10(11(16)17)15-12(18)19-8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15,18).
What are the key properties of phenyl N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate?
phenyl N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate has a molecular weight of 279.68 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamate is sourced from PubChem (CID 14350431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).