3-phenyl-5-[3-(1,2,4-triazol-4-yl)phenyl]pyridazine

C18H13N5 — CID 10447456

IUPAC3-phenyl-5-[3-(1,2,4-triazol-4-yl)phenyl]pyridazine
SMILESc1ccc(-c2cc(-c3cccc(-n4cnnc4)c3)cnn2)cc1
InChIInChI=1S/C18H13N5/c1-2-5-14(6-3-1)18-10-16(11-19-22-18)15-7-4-8-17(9-15)23-12-20-21-13-23/h1-13H
InChIKeyALSMBMGEQNFGHV-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.39
Rot. Bonds3

About 3-phenyl-5-[3-(1,2,4-triazol-4-yl)phenyl]pyridazine

3-phenyl-5-[3-(1,2,4-triazol-4-yl)phenyl]pyridazine (PubChem CID 10447456) has the molecular formula C18H13N5 and a molecular weight of 299.34 g/mol. Its IUPAC name is 3-phenyl-5-[3-(1,2,4-triazol-4-yl)phenyl]pyridazine.

Molecular Properties

Compound Name3-phenyl-5-[3-(1,2,4-triazol-4-yl)phenyl]pyridazine
PubChem CID10447456
Molecular FormulaC18H13N5
Molecular Weight299.34 g/mol
Exact Mass299.12
IUPAC Name3-phenyl-5-[3-(1,2,4-triazol-4-yl)phenyl]pyridazine
SMILESc1ccc(-c2cc(-c3cccc(-n4cnnc4)c3)cnn2)cc1
InChIInChI=1S/C18H13N5/c1-2-5-14(6-3-1)18-10-16(11-19-22-18)15-7-4-8-17(9-15)23-12-20-21-13-23/h1-13H
InChIKeyALSMBMGEQNFGHV-UHFFFAOYSA-N
XLogP3.39
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[3-(1,2,4-triazol-4-yl)phenyl]pyridazine?
The IUPAC name of 3-phenyl-5-[3-(1,2,4-triazol-4-yl)phenyl]pyridazine (CID 10447456) is 3-phenyl-5-[3-(1,2,4-triazol-4-yl)phenyl]pyridazine.
What is the SMILES notation for 3-phenyl-5-[3-(1,2,4-triazol-4-yl)phenyl]pyridazine?
The canonical SMILES for 3-phenyl-5-[3-(1,2,4-triazol-4-yl)phenyl]pyridazine is c1ccc(-c2cc(-c3cccc(-n4cnnc4)c3)cnn2)cc1.
What is the InChIKey of 3-phenyl-5-[3-(1,2,4-triazol-4-yl)phenyl]pyridazine?
The InChIKey is ALSMBMGEQNFGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5/c1-2-5-14(6-3-1)18-10-16(11-19-22-18)15-7-4-8-17(9-15)23-12-20-21-13-23/h1-13H.
What are the key properties of 3-phenyl-5-[3-(1,2,4-triazol-4-yl)phenyl]pyridazine?
3-phenyl-5-[3-(1,2,4-triazol-4-yl)phenyl]pyridazine has a molecular weight of 299.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[3-(1,2,4-triazol-4-yl)phenyl]pyridazine is sourced from PubChem (CID 10447456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).