3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine

C15H15N5O — CID 121497129

IUPAC3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine
SMILESCCOc1ncccc1-c1ccc(-c2nccn2C)nn1
InChIInChI=1S/C15H15N5O/c1-3-21-15-11(5-4-8-17-15)12-6-7-13(19-18-12)14-16-9-10-20(14)2/h4-10H,3H2,1-2H3
InChIKeyBVECHPBRKVSXPW-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.34
Rot. Bonds4

About 3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine

3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine (PubChem CID 121497129) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine.

Molecular Properties

Compound Name3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine
PubChem CID121497129
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine
SMILESCCOc1ncccc1-c1ccc(-c2nccn2C)nn1
InChIInChI=1S/C15H15N5O/c1-3-21-15-11(5-4-8-17-15)12-6-7-13(19-18-12)14-16-9-10-20(14)2/h4-10H,3H2,1-2H3
InChIKeyBVECHPBRKVSXPW-UHFFFAOYSA-N
XLogP2.34
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine?
The IUPAC name of 3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine (CID 121497129) is 3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine.
What is the SMILES notation for 3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine?
The canonical SMILES for 3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine is CCOc1ncccc1-c1ccc(-c2nccn2C)nn1.
What is the InChIKey of 3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine?
The InChIKey is BVECHPBRKVSXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-3-21-15-11(5-4-8-17-15)12-6-7-13(19-18-12)14-16-9-10-20(14)2/h4-10H,3H2,1-2H3.
What are the key properties of 3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine?
3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine has a molecular weight of 281.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine is sourced from PubChem (CID 121497129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).