ethyl N-ethyl-N-pyridazin-4-ylcarbamate

C9H13N3O2 — CID 171514159

IUPACethyl N-ethyl-N-pyridazin-4-ylcarbamate
SMILESCCOC(=O)N(CC)c1ccnnc1
InChIInChI=1S/C9H13N3O2/c1-3-12(9(13)14-4-2)8-5-6-10-11-7-8/h5-7H,3-4H2,1-2H3
InChIKeyYWHDYZYWVACYRZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.46
Rot. Bonds3

About ethyl N-ethyl-N-pyridazin-4-ylcarbamate

ethyl N-ethyl-N-pyridazin-4-ylcarbamate (PubChem CID 171514159) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl N-ethyl-N-pyridazin-4-ylcarbamate.

Molecular Properties

Compound Nameethyl N-ethyl-N-pyridazin-4-ylcarbamate
PubChem CID171514159
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl N-ethyl-N-pyridazin-4-ylcarbamate
SMILESCCOC(=O)N(CC)c1ccnnc1
InChIInChI=1S/C9H13N3O2/c1-3-12(9(13)14-4-2)8-5-6-10-11-7-8/h5-7H,3-4H2,1-2H3
InChIKeyYWHDYZYWVACYRZ-UHFFFAOYSA-N
XLogP1.46
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-ethyl-N-pyridazin-4-ylcarbamate?
The IUPAC name of ethyl N-ethyl-N-pyridazin-4-ylcarbamate (CID 171514159) is ethyl N-ethyl-N-pyridazin-4-ylcarbamate.
What is the SMILES notation for ethyl N-ethyl-N-pyridazin-4-ylcarbamate?
The canonical SMILES for ethyl N-ethyl-N-pyridazin-4-ylcarbamate is CCOC(=O)N(CC)c1ccnnc1.
What is the InChIKey of ethyl N-ethyl-N-pyridazin-4-ylcarbamate?
The InChIKey is YWHDYZYWVACYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-12(9(13)14-4-2)8-5-6-10-11-7-8/h5-7H,3-4H2,1-2H3.
What are the key properties of ethyl N-ethyl-N-pyridazin-4-ylcarbamate?
ethyl N-ethyl-N-pyridazin-4-ylcarbamate has a molecular weight of 195.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethyl-N-pyridazin-4-ylcarbamate is sourced from PubChem (CID 171514159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).