3-N,6-N-bis(3-methoxyphenyl)pyridazine-3,6-diamine

C18H18N4O2 — CID 2946925

IUPAC3-N,6-N-bis(3-methoxyphenyl)pyridazine-3,6-diamine
SMILESCOc1cccc(Nc2ccc(Nc3cccc(OC)c3)nn2)c1
InChIInChI=1S/C18H18N4O2/c1-23-15-7-3-5-13(11-15)19-17-9-10-18(22-21-17)20-14-6-4-8-16(12-14)24-2/h3-12H,1-2H3,(H,19,21)(H,20,22)
InChIKeyCKYGFTRLSWBXNP-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.98
Rot. Bonds6

About 3-N,6-N-bis(3-methoxyphenyl)pyridazine-3,6-diamine

3-N,6-N-bis(3-methoxyphenyl)pyridazine-3,6-diamine (PubChem CID 2946925) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-N,6-N-bis(3-methoxyphenyl)pyridazine-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-bis(3-methoxyphenyl)pyridazine-3,6-diamine
PubChem CID2946925
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-N,6-N-bis(3-methoxyphenyl)pyridazine-3,6-diamine
SMILESCOc1cccc(Nc2ccc(Nc3cccc(OC)c3)nn2)c1
InChIInChI=1S/C18H18N4O2/c1-23-15-7-3-5-13(11-15)19-17-9-10-18(22-21-17)20-14-6-4-8-16(12-14)24-2/h3-12H,1-2H3,(H,19,21)(H,20,22)
InChIKeyCKYGFTRLSWBXNP-UHFFFAOYSA-N
XLogP3.98
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-bis(3-methoxyphenyl)pyridazine-3,6-diamine?
The IUPAC name of 3-N,6-N-bis(3-methoxyphenyl)pyridazine-3,6-diamine (CID 2946925) is 3-N,6-N-bis(3-methoxyphenyl)pyridazine-3,6-diamine.
What is the SMILES notation for 3-N,6-N-bis(3-methoxyphenyl)pyridazine-3,6-diamine?
The canonical SMILES for 3-N,6-N-bis(3-methoxyphenyl)pyridazine-3,6-diamine is COc1cccc(Nc2ccc(Nc3cccc(OC)c3)nn2)c1.
What is the InChIKey of 3-N,6-N-bis(3-methoxyphenyl)pyridazine-3,6-diamine?
The InChIKey is CKYGFTRLSWBXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-23-15-7-3-5-13(11-15)19-17-9-10-18(22-21-17)20-14-6-4-8-16(12-14)24-2/h3-12H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-N,6-N-bis(3-methoxyphenyl)pyridazine-3,6-diamine?
3-N,6-N-bis(3-methoxyphenyl)pyridazine-3,6-diamine has a molecular weight of 322.37 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-bis(3-methoxyphenyl)pyridazine-3,6-diamine is sourced from PubChem (CID 2946925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).