methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate

C16H12N4O2 — CID 6417972

IUPACmethyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccn2)nnc1-c1ccccn1
InChIInChI=1S/C16H12N4O2/c1-22-16(21)11-10-14(12-6-2-4-8-17-12)19-20-15(11)13-7-3-5-9-18-13/h2-10H,1H3
InChIKeyQGWKTXDLNQDJKV-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.39
Rot. Bonds3

About methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate

methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate (PubChem CID 6417972) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate
PubChem CID6417972
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Namemethyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccn2)nnc1-c1ccccn1
InChIInChI=1S/C16H12N4O2/c1-22-16(21)11-10-14(12-6-2-4-8-17-12)19-20-15(11)13-7-3-5-9-18-13/h2-10H,1H3
InChIKeyQGWKTXDLNQDJKV-UHFFFAOYSA-N
XLogP2.39
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate?
The IUPAC name of methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate (CID 6417972) is methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate.
What is the SMILES notation for methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate?
The canonical SMILES for methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate is COC(=O)c1cc(-c2ccccn2)nnc1-c1ccccn1.
What is the InChIKey of methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate?
The InChIKey is QGWKTXDLNQDJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-22-16(21)11-10-14(12-6-2-4-8-17-12)19-20-15(11)13-7-3-5-9-18-13/h2-10H,1H3.
What are the key properties of methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate?
methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate has a molecular weight of 292.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate is sourced from PubChem (CID 6417972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).