6-(3-imidazol-1-ylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine

C15H12N6 — CID 14287982

IUPAC6-(3-imidazol-1-ylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(-c3cccc(-n4ccnc4)c3)nn12
InChIInChI=1S/C15H12N6/c1-11-17-18-15-6-5-14(19-21(11)15)12-3-2-4-13(9-12)20-8-7-16-10-20/h2-10H,1H3
InChIKeyWFZXVJDTNANNSX-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.29
Rot. Bonds2

About 6-(3-imidazol-1-ylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine

6-(3-imidazol-1-ylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 14287982) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-(3-imidazol-1-ylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(3-imidazol-1-ylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID14287982
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name6-(3-imidazol-1-ylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(-c3cccc(-n4ccnc4)c3)nn12
InChIInChI=1S/C15H12N6/c1-11-17-18-15-6-5-14(19-21(11)15)12-3-2-4-13(9-12)20-8-7-16-10-20/h2-10H,1H3
InChIKeyWFZXVJDTNANNSX-UHFFFAOYSA-N
XLogP2.29
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-imidazol-1-ylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(3-imidazol-1-ylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 14287982) is 6-(3-imidazol-1-ylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(3-imidazol-1-ylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(3-imidazol-1-ylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nnc2ccc(-c3cccc(-n4ccnc4)c3)nn12.
What is the InChIKey of 6-(3-imidazol-1-ylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is WFZXVJDTNANNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c1-11-17-18-15-6-5-14(19-21(11)15)12-3-2-4-13(9-12)20-8-7-16-10-20/h2-10H,1H3.
What are the key properties of 6-(3-imidazol-1-ylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-(3-imidazol-1-ylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 276.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-imidazol-1-ylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 14287982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).