3-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-6-(6-methyl-2-pyridinyl)pyridazine

C18H16N4O2 — CID 15441765

IUPAC3-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-6-(6-methyl-2-pyridinyl)pyridazine
SMILESCc1cccc(-c2ccc(-c3ccc(C4OCCO4)cn3)nn2)n1
InChIInChI=1S/C18H16N4O2/c1-12-3-2-4-15(20-12)17-8-7-16(21-22-17)14-6-5-13(11-19-14)18-23-9-10-24-18/h2-8,11,18H,9-10H2,1H3
InChIKeySVHFUYRVYXMOSI-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.95
Rot. Bonds3

About 3-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-6-(6-methyl-2-pyridinyl)pyridazine

3-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-6-(6-methyl-2-pyridinyl)pyridazine (PubChem CID 15441765) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-6-(6-methyl-2-pyridinyl)pyridazine.

Molecular Properties

Compound Name3-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-6-(6-methyl-2-pyridinyl)pyridazine
PubChem CID15441765
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-6-(6-methyl-2-pyridinyl)pyridazine
SMILESCc1cccc(-c2ccc(-c3ccc(C4OCCO4)cn3)nn2)n1
InChIInChI=1S/C18H16N4O2/c1-12-3-2-4-15(20-12)17-8-7-16(21-22-17)14-6-5-13(11-19-14)18-23-9-10-24-18/h2-8,11,18H,9-10H2,1H3
InChIKeySVHFUYRVYXMOSI-UHFFFAOYSA-N
XLogP2.95
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-6-(6-methyl-2-pyridinyl)pyridazine?
The IUPAC name of 3-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-6-(6-methyl-2-pyridinyl)pyridazine (CID 15441765) is 3-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-6-(6-methyl-2-pyridinyl)pyridazine.
What is the SMILES notation for 3-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-6-(6-methyl-2-pyridinyl)pyridazine?
The canonical SMILES for 3-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-6-(6-methyl-2-pyridinyl)pyridazine is Cc1cccc(-c2ccc(-c3ccc(C4OCCO4)cn3)nn2)n1.
What is the InChIKey of 3-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-6-(6-methyl-2-pyridinyl)pyridazine?
The InChIKey is SVHFUYRVYXMOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12-3-2-4-15(20-12)17-8-7-16(21-22-17)14-6-5-13(11-19-14)18-23-9-10-24-18/h2-8,11,18H,9-10H2,1H3.
What are the key properties of 3-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-6-(6-methyl-2-pyridinyl)pyridazine?
3-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-6-(6-methyl-2-pyridinyl)pyridazine has a molecular weight of 320.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-6-(6-methyl-2-pyridinyl)pyridazine is sourced from PubChem (CID 15441765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).