ethyl N-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]carbamate

C8H10ClN5O2 — CID 135666649

IUPACethyl N-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]carbamate
SMILESCCOC(=O)N/C=N/Nc1cncc(Cl)n1
InChIInChI=1S/C8H10ClN5O2/c1-2-16-8(15)11-5-12-14-7-4-10-3-6(9)13-7/h3-5H,2H2,1H3,(H,13,14)(H,11,12,15)
InChIKeyHRYFRBYBBHAHFN-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.23
Rot. Bonds4

About ethyl N-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]carbamate

ethyl N-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]carbamate (PubChem CID 135666649) has the molecular formula C8H10ClN5O2 and a molecular weight of 243.65 g/mol. Its IUPAC name is ethyl N-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]carbamate
PubChem CID135666649
Molecular FormulaC8H10ClN5O2
Molecular Weight243.65 g/mol
Exact Mass243.05
IUPAC Nameethyl N-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]carbamate
SMILESCCOC(=O)N/C=N/Nc1cncc(Cl)n1
InChIInChI=1S/C8H10ClN5O2/c1-2-16-8(15)11-5-12-14-7-4-10-3-6(9)13-7/h3-5H,2H2,1H3,(H,13,14)(H,11,12,15)
InChIKeyHRYFRBYBBHAHFN-UHFFFAOYSA-N
XLogP1.23
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]carbamate?
The IUPAC name of ethyl N-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]carbamate (CID 135666649) is ethyl N-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]carbamate.
What is the SMILES notation for ethyl N-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]carbamate?
The canonical SMILES for ethyl N-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]carbamate is CCOC(=O)N/C=N/Nc1cncc(Cl)n1.
What is the InChIKey of ethyl N-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]carbamate?
The InChIKey is HRYFRBYBBHAHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O2/c1-2-16-8(15)11-5-12-14-7-4-10-3-6(9)13-7/h3-5H,2H2,1H3,(H,13,14)(H,11,12,15).
What are the key properties of ethyl N-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]carbamate?
ethyl N-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]carbamate has a molecular weight of 243.65 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]carbamate is sourced from PubChem (CID 135666649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).