ethane;3-[(4-methylphenyl)methyl]pyridazine

C14H18N2 — CID 143919339

IUPACethane;3-[(4-methylphenyl)methyl]pyridazine
SMILESCC.Cc1ccc(Cc2cccnn2)cc1
InChIInChI=1S/C12H12N2.C2H6/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-14-12;1-2/h2-8H,9H2,1H3;1-2H3
InChIKeyWEEFQTBDAYWJFN-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.40
Rot. Bonds2

About ethane;3-[(4-methylphenyl)methyl]pyridazine

ethane;3-[(4-methylphenyl)methyl]pyridazine (PubChem CID 143919339) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethane;3-[(4-methylphenyl)methyl]pyridazine.

Molecular Properties

Compound Nameethane;3-[(4-methylphenyl)methyl]pyridazine
PubChem CID143919339
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Nameethane;3-[(4-methylphenyl)methyl]pyridazine
SMILESCC.Cc1ccc(Cc2cccnn2)cc1
InChIInChI=1S/C12H12N2.C2H6/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-14-12;1-2/h2-8H,9H2,1H3;1-2H3
InChIKeyWEEFQTBDAYWJFN-UHFFFAOYSA-N
XLogP3.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromophenyl)methyl]pyridazine
CID 117106529
1-pyridazin-3-ylpropan-2-ol
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3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine
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3-[(2-bromophenyl)methyl]pyridazine
CID 21387661
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
1-benzyl-4-methylbenzene;toluene
CID 144690555
3-butylpyridazine;hydrochloride
CID 121232273
4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089546
[4-(pyridazin-3-ylmethylsulfonyl)phenyl] 4-methylbenzenesulfonate
CID 19759091
3-(azidomethyl)pyridazine
CID 89158171
3-(2,2-dimethoxyethyl)pyridazine
CID 175308246

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(4-methylphenyl)methyl]pyridazine?
The IUPAC name of ethane;3-[(4-methylphenyl)methyl]pyridazine (CID 143919339) is ethane;3-[(4-methylphenyl)methyl]pyridazine.
What is the SMILES notation for ethane;3-[(4-methylphenyl)methyl]pyridazine?
The canonical SMILES for ethane;3-[(4-methylphenyl)methyl]pyridazine is CC.Cc1ccc(Cc2cccnn2)cc1.
What is the InChIKey of ethane;3-[(4-methylphenyl)methyl]pyridazine?
The InChIKey is WEEFQTBDAYWJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C2H6/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-14-12;1-2/h2-8H,9H2,1H3;1-2H3.
What are the key properties of ethane;3-[(4-methylphenyl)methyl]pyridazine?
ethane;3-[(4-methylphenyl)methyl]pyridazine has a molecular weight of 214.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(4-methylphenyl)methyl]pyridazine is sourced from PubChem (CID 143919339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).