phenyl N-(5-bromo-4-ethenyl-3-methyliminopyrazin-2-yl)carbamate

C14H13BrN4O2 — CID 171090733

IUPACphenyl N-(5-bromo-4-ethenyl-3-methyliminopyrazin-2-yl)carbamate
SMILESC=Cn1c(Br)cnc(NC(=O)Oc2ccccc2)/c1=N/C
InChIInChI=1S/C14H13BrN4O2/c1-3-19-11(15)9-17-12(13(19)16-2)18-14(20)21-10-7-5-4-6-8-10/h3-9H,1H2,2H3,(H,17,18,20)/b16-13-
InChIKeyFZYGNURPQLHSLO-SSZFMOIBSA-N
MW349.19 g/mol
LogP2.89
Rot. Bonds3

About phenyl N-(5-bromo-4-ethenyl-3-methyliminopyrazin-2-yl)carbamate

phenyl N-(5-bromo-4-ethenyl-3-methyliminopyrazin-2-yl)carbamate (PubChem CID 171090733) has the molecular formula C14H13BrN4O2 and a molecular weight of 349.19 g/mol. Its IUPAC name is phenyl N-(5-bromo-4-ethenyl-3-methyliminopyrazin-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(5-bromo-4-ethenyl-3-methyliminopyrazin-2-yl)carbamate
PubChem CID171090733
Molecular FormulaC14H13BrN4O2
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC Namephenyl N-(5-bromo-4-ethenyl-3-methyliminopyrazin-2-yl)carbamate
SMILESC=Cn1c(Br)cnc(NC(=O)Oc2ccccc2)/c1=N/C
InChIInChI=1S/C14H13BrN4O2/c1-3-19-11(15)9-17-12(13(19)16-2)18-14(20)21-10-7-5-4-6-8-10/h3-9H,1H2,2H3,(H,17,18,20)/b16-13-
InChIKeyFZYGNURPQLHSLO-SSZFMOIBSA-N
XLogP2.89
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(5-bromo-4-ethenyl-3-methyliminopyrazin-2-yl)carbamate?
The IUPAC name of phenyl N-(5-bromo-4-ethenyl-3-methyliminopyrazin-2-yl)carbamate (CID 171090733) is phenyl N-(5-bromo-4-ethenyl-3-methyliminopyrazin-2-yl)carbamate.
What is the SMILES notation for phenyl N-(5-bromo-4-ethenyl-3-methyliminopyrazin-2-yl)carbamate?
The canonical SMILES for phenyl N-(5-bromo-4-ethenyl-3-methyliminopyrazin-2-yl)carbamate is C=Cn1c(Br)cnc(NC(=O)Oc2ccccc2)/c1=N/C.
What is the InChIKey of phenyl N-(5-bromo-4-ethenyl-3-methyliminopyrazin-2-yl)carbamate?
The InChIKey is FZYGNURPQLHSLO-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H13BrN4O2/c1-3-19-11(15)9-17-12(13(19)16-2)18-14(20)21-10-7-5-4-6-8-10/h3-9H,1H2,2H3,(H,17,18,20)/b16-13-.
What are the key properties of phenyl N-(5-bromo-4-ethenyl-3-methyliminopyrazin-2-yl)carbamate?
phenyl N-(5-bromo-4-ethenyl-3-methyliminopyrazin-2-yl)carbamate has a molecular weight of 349.19 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(5-bromo-4-ethenyl-3-methyliminopyrazin-2-yl)carbamate is sourced from PubChem (CID 171090733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).