2-[(4-methoxyphenyl)methyl]-1H-pyridazine

C12H14N2O — CID 175776844

IUPAC2-[(4-methoxyphenyl)methyl]-1H-pyridazine
SMILESCOc1ccc(CN2C=CC=CN2)cc1
InChIInChI=1S/C12H14N2O/c1-15-12-6-4-11(5-7-12)10-14-9-3-2-8-13-14/h2-9,13H,10H2,1H3
InChIKeySQTJEQZEXNDAGS-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.04
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-1H-pyridazine

2-[(4-methoxyphenyl)methyl]-1H-pyridazine (PubChem CID 175776844) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-1H-pyridazine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-1H-pyridazine
PubChem CID175776844
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-[(4-methoxyphenyl)methyl]-1H-pyridazine
SMILESCOc1ccc(CN2C=CC=CN2)cc1
InChIInChI=1S/C12H14N2O/c1-15-12-6-4-11(5-7-12)10-14-9-3-2-8-13-14/h2-9,13H,10H2,1H3
InChIKeySQTJEQZEXNDAGS-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole
CID 174845961
5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-ol
CID 175895495
(3R)-1-[2-[(4-methoxyphenyl)methyl]-1H-pyridazin-4-yl]pyrrolidin-3-amine
CID 141256061
trichloro-[(4-methoxyphenyl)methyl]silane
CID 11482253
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole
CID 118618664
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664
(4S)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-thiadiazolidine
CID 145440473
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine
CID 101352609
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 3069741

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-1H-pyridazine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-1H-pyridazine (CID 175776844) is 2-[(4-methoxyphenyl)methyl]-1H-pyridazine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-1H-pyridazine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-1H-pyridazine is COc1ccc(CN2C=CC=CN2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-1H-pyridazine?
The InChIKey is SQTJEQZEXNDAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-15-12-6-4-11(5-7-12)10-14-9-3-2-8-13-14/h2-9,13H,10H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-1H-pyridazine?
2-[(4-methoxyphenyl)methyl]-1H-pyridazine has a molecular weight of 202.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-1H-pyridazine is sourced from PubChem (CID 175776844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).