3-[(2-methoxyphenyl)methyl]pyridazine

C12H12N2O — CID 21387577

IUPAC3-[(2-methoxyphenyl)methyl]pyridazine
SMILESCOc1ccccc1Cc1cccnn1
InChIInChI=1S/C12H12N2O/c1-15-12-7-3-2-5-10(12)9-11-6-4-8-13-14-11/h2-8H,9H2,1H3
InChIKeyMQJOTSFZEGRMKR-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.08
Rot. Bonds3

About 3-[(2-methoxyphenyl)methyl]pyridazine

3-[(2-methoxyphenyl)methyl]pyridazine (PubChem CID 21387577) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]pyridazine.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]pyridazine
PubChem CID21387577
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-[(2-methoxyphenyl)methyl]pyridazine
SMILESCOc1ccccc1Cc1cccnn1
InChIInChI=1S/C12H12N2O/c1-15-12-7-3-2-5-10(12)9-11-6-4-8-13-14-11/h2-8H,9H2,1H3
InChIKeyMQJOTSFZEGRMKR-UHFFFAOYSA-N
XLogP2.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]pyridazine?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]pyridazine (CID 21387577) is 3-[(2-methoxyphenyl)methyl]pyridazine.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]pyridazine?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]pyridazine is COc1ccccc1Cc1cccnn1.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]pyridazine?
The InChIKey is MQJOTSFZEGRMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-15-12-7-3-2-5-10(12)9-11-6-4-8-13-14-11/h2-8H,9H2,1H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]pyridazine?
3-[(2-methoxyphenyl)methyl]pyridazine has a molecular weight of 200.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]pyridazine is sourced from PubChem (CID 21387577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).