4,5-dipropyl-3,6-dipyridin-2-ylpyridazine

C20H22N4 — CID 58250586

IUPAC4,5-dipropyl-3,6-dipyridin-2-ylpyridazine
SMILESCCCc1c(-c2ccccn2)nnc(-c2ccccn2)c1CCC
InChIInChI=1S/C20H22N4/c1-3-9-15-16(10-4-2)20(18-12-6-8-14-22-18)24-23-19(15)17-11-5-7-13-21-17/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyQSRHJZRHHCFUMB-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.51
Rot. Bonds6

About 4,5-dipropyl-3,6-dipyridin-2-ylpyridazine

4,5-dipropyl-3,6-dipyridin-2-ylpyridazine (PubChem CID 58250586) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4,5-dipropyl-3,6-dipyridin-2-ylpyridazine.

Molecular Properties

Compound Name4,5-dipropyl-3,6-dipyridin-2-ylpyridazine
PubChem CID58250586
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4,5-dipropyl-3,6-dipyridin-2-ylpyridazine
SMILESCCCc1c(-c2ccccn2)nnc(-c2ccccn2)c1CCC
InChIInChI=1S/C20H22N4/c1-3-9-15-16(10-4-2)20(18-12-6-8-14-22-18)24-23-19(15)17-11-5-7-13-21-17/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyQSRHJZRHHCFUMB-UHFFFAOYSA-N
XLogP4.51
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dipropyl-3,6-dipyridin-2-ylpyridazine?
The IUPAC name of 4,5-dipropyl-3,6-dipyridin-2-ylpyridazine (CID 58250586) is 4,5-dipropyl-3,6-dipyridin-2-ylpyridazine.
What is the SMILES notation for 4,5-dipropyl-3,6-dipyridin-2-ylpyridazine?
The canonical SMILES for 4,5-dipropyl-3,6-dipyridin-2-ylpyridazine is CCCc1c(-c2ccccn2)nnc(-c2ccccn2)c1CCC.
What is the InChIKey of 4,5-dipropyl-3,6-dipyridin-2-ylpyridazine?
The InChIKey is QSRHJZRHHCFUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-3-9-15-16(10-4-2)20(18-12-6-8-14-22-18)24-23-19(15)17-11-5-7-13-21-17/h5-8,11-14H,3-4,9-10H2,1-2H3.
What are the key properties of 4,5-dipropyl-3,6-dipyridin-2-ylpyridazine?
4,5-dipropyl-3,6-dipyridin-2-ylpyridazine has a molecular weight of 318.42 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dipropyl-3,6-dipyridin-2-ylpyridazine is sourced from PubChem (CID 58250586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).