3-methoxy-6-[4-[(E)-prop-1-enyl]phenyl]pyridazine

C14H14N2O — CID 173227363

IUPAC3-methoxy-6-[4-[(E)-prop-1-enyl]phenyl]pyridazine
SMILESC/C=C/c1ccc(-c2ccc(OC)nn2)cc1
InChIInChI=1S/C14H14N2O/c1-3-4-11-5-7-12(8-6-11)13-9-10-14(17-2)16-15-13/h3-10H,1-2H3/b4-3+
InChIKeyHWCGZLVWAYEPGR-ONEGZZNKSA-N
MW226.28 g/mol
LogP3.19
Rot. Bonds3

About 3-methoxy-6-[4-[(E)-prop-1-enyl]phenyl]pyridazine

3-methoxy-6-[4-[(E)-prop-1-enyl]phenyl]pyridazine (PubChem CID 173227363) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-methoxy-6-[4-[(E)-prop-1-enyl]phenyl]pyridazine.

Molecular Properties

Compound Name3-methoxy-6-[4-[(E)-prop-1-enyl]phenyl]pyridazine
PubChem CID173227363
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3-methoxy-6-[4-[(E)-prop-1-enyl]phenyl]pyridazine
SMILESC/C=C/c1ccc(-c2ccc(OC)nn2)cc1
InChIInChI=1S/C14H14N2O/c1-3-4-11-5-7-12(8-6-11)13-9-10-14(17-2)16-15-13/h3-10H,1-2H3/b4-3+
InChIKeyHWCGZLVWAYEPGR-ONEGZZNKSA-N
XLogP3.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-[4-[(E)-prop-1-enyl]phenyl]pyridazine?
The IUPAC name of 3-methoxy-6-[4-[(E)-prop-1-enyl]phenyl]pyridazine (CID 173227363) is 3-methoxy-6-[4-[(E)-prop-1-enyl]phenyl]pyridazine.
What is the SMILES notation for 3-methoxy-6-[4-[(E)-prop-1-enyl]phenyl]pyridazine?
The canonical SMILES for 3-methoxy-6-[4-[(E)-prop-1-enyl]phenyl]pyridazine is C/C=C/c1ccc(-c2ccc(OC)nn2)cc1.
What is the InChIKey of 3-methoxy-6-[4-[(E)-prop-1-enyl]phenyl]pyridazine?
The InChIKey is HWCGZLVWAYEPGR-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H14N2O/c1-3-4-11-5-7-12(8-6-11)13-9-10-14(17-2)16-15-13/h3-10H,1-2H3/b4-3+.
What are the key properties of 3-methoxy-6-[4-[(E)-prop-1-enyl]phenyl]pyridazine?
3-methoxy-6-[4-[(E)-prop-1-enyl]phenyl]pyridazine has a molecular weight of 226.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-[4-[(E)-prop-1-enyl]phenyl]pyridazine is sourced from PubChem (CID 173227363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).