methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate

C19H16N2O3 — CID 4914841

IUPACmethyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O
InChIInChI=1S/C19H16N2O3/c1-21-18(22)16(19(23)24-2)15(13-9-5-3-6-10-13)17(20-21)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeySRMDMSYRHKTTCX-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.90
Rot. Bonds3

About methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate

methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate (PubChem CID 4914841) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate
PubChem CID4914841
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Namemethyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O
InChIInChI=1S/C19H16N2O3/c1-21-18(22)16(19(23)24-2)15(13-9-5-3-6-10-13)17(20-21)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeySRMDMSYRHKTTCX-UHFFFAOYSA-N
XLogP2.90
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate?
The IUPAC name of methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate (CID 4914841) is methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate?
The canonical SMILES for methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate is COC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O.
What is the InChIKey of methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate?
The InChIKey is SRMDMSYRHKTTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-21-18(22)16(19(23)24-2)15(13-9-5-3-6-10-13)17(20-21)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate?
methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate is sourced from PubChem (CID 4914841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).