benzyl 4,5-bis(ethenyl)-6-methylpyridazine-3-carboxylate

C17H16N2O2 — CID 134553199

IUPACbenzyl 4,5-bis(ethenyl)-6-methylpyridazine-3-carboxylate
SMILESC=Cc1c(C)nnc(C(=O)OCc2ccccc2)c1C=C
InChIInChI=1S/C17H16N2O2/c1-4-14-12(3)18-19-16(15(14)5-2)17(20)21-11-13-9-7-6-8-10-13/h4-10H,1-2,11H2,3H3
InChIKeyFUGSDMWUKOWDGK-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.43
Rot. Bonds5

About benzyl 4,5-bis(ethenyl)-6-methylpyridazine-3-carboxylate

benzyl 4,5-bis(ethenyl)-6-methylpyridazine-3-carboxylate (PubChem CID 134553199) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is benzyl 4,5-bis(ethenyl)-6-methylpyridazine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4,5-bis(ethenyl)-6-methylpyridazine-3-carboxylate
PubChem CID134553199
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namebenzyl 4,5-bis(ethenyl)-6-methylpyridazine-3-carboxylate
SMILESC=Cc1c(C)nnc(C(=O)OCc2ccccc2)c1C=C
InChIInChI=1S/C17H16N2O2/c1-4-14-12(3)18-19-16(15(14)5-2)17(20)21-11-13-9-7-6-8-10-13/h4-10H,1-2,11H2,3H3
InChIKeyFUGSDMWUKOWDGK-UHFFFAOYSA-N
XLogP3.43
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-iodo-6-methyl-1,2,4-triazine-5-carboxylate
CID 126639292
tetrabenzyl 6-methylpyridine-2,3,4,5-tetracarboxylate
CID 126657451
dibenzyl 5-methyltriazole-2,4-dicarboxylate
CID 134511510
benzyl 3-methyl-6,7-bis(phenylmethoxy)quinoxaline-2-carboxylate
CID 86747625
benzyl 2-ethenyl-4-methylbenzoate
CID 172649011
3-O-benzyl 1-O-ethyl 2-methylidenepropanedioate
CID 118947180
benzyl 5-methyl-1,3,4-thiadiazole-2-carboxylate
CID 126672044
benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
CID 139762946
benzyl 1-(2-hydroxyethyl)-5-methyltriazole-4-carboxylate
CID 103114564
benzyl 4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate
CID 139043468
dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate
CID 170190396
benzyl benzoate
CID 2345

Frequently Asked Questions

What is the IUPAC name of benzyl 4,5-bis(ethenyl)-6-methylpyridazine-3-carboxylate?
The IUPAC name of benzyl 4,5-bis(ethenyl)-6-methylpyridazine-3-carboxylate (CID 134553199) is benzyl 4,5-bis(ethenyl)-6-methylpyridazine-3-carboxylate.
What is the SMILES notation for benzyl 4,5-bis(ethenyl)-6-methylpyridazine-3-carboxylate?
The canonical SMILES for benzyl 4,5-bis(ethenyl)-6-methylpyridazine-3-carboxylate is C=Cc1c(C)nnc(C(=O)OCc2ccccc2)c1C=C.
What is the InChIKey of benzyl 4,5-bis(ethenyl)-6-methylpyridazine-3-carboxylate?
The InChIKey is FUGSDMWUKOWDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-4-14-12(3)18-19-16(15(14)5-2)17(20)21-11-13-9-7-6-8-10-13/h4-10H,1-2,11H2,3H3.
What are the key properties of benzyl 4,5-bis(ethenyl)-6-methylpyridazine-3-carboxylate?
benzyl 4,5-bis(ethenyl)-6-methylpyridazine-3-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4,5-bis(ethenyl)-6-methylpyridazine-3-carboxylate is sourced from PubChem (CID 134553199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).