1-pyridazin-4-ylethyl formate

C7H8N2O2 — CID 56982811

IUPAC1-pyridazin-4-ylethyl formate
SMILESCC(OC=O)c1ccnnc1
InChIInChI=1S/C7H8N2O2/c1-6(11-5-10)7-2-3-8-9-4-7/h2-6H,1H3
InChIKeyYNRMFMPUTCTAGE-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.71
Rot. Bonds3

About 1-pyridazin-4-ylethyl formate

1-pyridazin-4-ylethyl formate (PubChem CID 56982811) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1-pyridazin-4-ylethyl formate.

Molecular Properties

Compound Name1-pyridazin-4-ylethyl formate
PubChem CID56982811
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name1-pyridazin-4-ylethyl formate
SMILESCC(OC=O)c1ccnnc1
InChIInChI=1S/C7H8N2O2/c1-6(11-5-10)7-2-3-8-9-4-7/h2-6H,1H3
InChIKeyYNRMFMPUTCTAGE-UHFFFAOYSA-N
XLogP0.71
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(Pyridazin-4-yl)ethan-1-ol
CID 13205672
4-(1-Methoxyethyl)pyridazin
CID 13205684
Pyridazin-4-ylmethyl formate
CID 53785222
4-(2H-pyran-2-yl)pyridazine
CID 138520812
2-Pyridazin-4-ylethyl formate
CID 174495833
3-Methyl-1-pyridazin-4-ylbut-2-en-1-ol
CID 105110196
2-Methyl-1-pyridazin-4-ylprop-2-en-1-ol
CID 105110432
2-Methoxy-1-pyridazin-4-ylethanol
CID 105112061
1-Pyridazin-4-ylprop-2-en-1-ol
CID 121600339
1-Pyridazin-4-ylpropan-1-ol
CID 121601429
[(1S)-2-(methylamino)-1-pyridazin-4-ylethyl] formate
CID 144379991
4-(1-Methoxycyclopropyl)pyridazine
CID 169500984

Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-4-ylethyl formate?
The IUPAC name of 1-pyridazin-4-ylethyl formate (CID 56982811) is 1-pyridazin-4-ylethyl formate.
What is the SMILES notation for 1-pyridazin-4-ylethyl formate?
The canonical SMILES for 1-pyridazin-4-ylethyl formate is CC(OC=O)c1ccnnc1.
What is the InChIKey of 1-pyridazin-4-ylethyl formate?
The InChIKey is YNRMFMPUTCTAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-6(11-5-10)7-2-3-8-9-4-7/h2-6H,1H3.
What are the key properties of 1-pyridazin-4-ylethyl formate?
1-pyridazin-4-ylethyl formate has a molecular weight of 152.15 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-4-ylethyl formate is sourced from PubChem (CID 56982811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).