6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

C20H16N8O — CID 21187502

IUPAC6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1ncnc1COc1nn2c(-c3cccnc3)nnc2cc1-c1ccccc1
InChIInChI=1S/C20H16N8O/c1-27-18(22-13-23-27)12-29-20-16(14-6-3-2-4-7-14)10-17-24-25-19(28(17)26-20)15-8-5-9-21-11-15/h2-11,13H,12H2,1H3
InChIKeyNJSIZMUEMYUQFZ-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.56
Rot. Bonds5

About 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 21187502) has the molecular formula C20H16N8O and a molecular weight of 384.40 g/mol. Its IUPAC name is 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID21187502
Molecular FormulaC20H16N8O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC Name6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1ncnc1COc1nn2c(-c3cccnc3)nnc2cc1-c1ccccc1
InChIInChI=1S/C20H16N8O/c1-27-18(22-13-23-27)12-29-20-16(14-6-3-2-4-7-14)10-17-24-25-19(28(17)26-20)15-8-5-9-21-11-15/h2-11,13H,12H2,1H3
InChIKeyNJSIZMUEMYUQFZ-UHFFFAOYSA-N
XLogP2.56
TPSA95.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 21187502) is 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is Cn1ncnc1COc1nn2c(-c3cccnc3)nnc2cc1-c1ccccc1.
What is the InChIKey of 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is NJSIZMUEMYUQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8O/c1-27-18(22-13-23-27)12-29-20-16(14-6-3-2-4-7-14)10-17-24-25-19(28(17)26-20)15-8-5-9-21-11-15/h2-11,13H,12H2,1H3.
What are the key properties of 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 384.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 21187502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).