[1-(2-methoxyethyl)-6-oxopyridazin-3-yl] carbamate

C8H11N3O4 — CID 175376590

IUPAC[1-(2-methoxyethyl)-6-oxopyridazin-3-yl] carbamate
SMILESCOCCn1nc(OC(N)=O)ccc1=O
InChIInChI=1S/C8H11N3O4/c1-14-5-4-11-7(12)3-2-6(10-11)15-8(9)13/h2-3H,4-5H2,1H3,(H2,9,13)
InChIKeyLEGAZSZVFUZMTM-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.65
Rot. Bonds4

About [1-(2-methoxyethyl)-6-oxopyridazin-3-yl] carbamate

[1-(2-methoxyethyl)-6-oxopyridazin-3-yl] carbamate (PubChem CID 175376590) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is [1-(2-methoxyethyl)-6-oxopyridazin-3-yl] carbamate.

Molecular Properties

Compound Name[1-(2-methoxyethyl)-6-oxopyridazin-3-yl] carbamate
PubChem CID175376590
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name[1-(2-methoxyethyl)-6-oxopyridazin-3-yl] carbamate
SMILESCOCCn1nc(OC(N)=O)ccc1=O
InChIInChI=1S/C8H11N3O4/c1-14-5-4-11-7(12)3-2-6(10-11)15-8(9)13/h2-3H,4-5H2,1H3,(H2,9,13)
InChIKeyLEGAZSZVFUZMTM-UHFFFAOYSA-N
XLogP-0.65
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)-6-oxopyridazin-3-yl] carbamate?
The IUPAC name of [1-(2-methoxyethyl)-6-oxopyridazin-3-yl] carbamate (CID 175376590) is [1-(2-methoxyethyl)-6-oxopyridazin-3-yl] carbamate.
What is the SMILES notation for [1-(2-methoxyethyl)-6-oxopyridazin-3-yl] carbamate?
The canonical SMILES for [1-(2-methoxyethyl)-6-oxopyridazin-3-yl] carbamate is COCCn1nc(OC(N)=O)ccc1=O.
What is the InChIKey of [1-(2-methoxyethyl)-6-oxopyridazin-3-yl] carbamate?
The InChIKey is LEGAZSZVFUZMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-14-5-4-11-7(12)3-2-6(10-11)15-8(9)13/h2-3H,4-5H2,1H3,(H2,9,13).
What are the key properties of [1-(2-methoxyethyl)-6-oxopyridazin-3-yl] carbamate?
[1-(2-methoxyethyl)-6-oxopyridazin-3-yl] carbamate has a molecular weight of 213.19 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)-6-oxopyridazin-3-yl] carbamate is sourced from PubChem (CID 175376590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).