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

C21H17N7O — CID 11574515

IUPAC6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1-c1ccccc1
InChIInChI=1S/C21H17N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3
InChIKeyLHMYCKKRCBXCBI-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.17
Rot. Bonds5

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

6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 11574515) has the molecular formula C21H17N7O and a molecular weight of 383.42 g/mol. Its IUPAC name is 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID11574515
Molecular FormulaC21H17N7O
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC Name6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1-c1ccccc1
InChIInChI=1S/C21H17N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3
InChIKeyLHMYCKKRCBXCBI-UHFFFAOYSA-N
XLogP3.17
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 11574515) is 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine is Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1-c1ccccc1.
What is the InChIKey of 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is LHMYCKKRCBXCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3.
What are the key properties of 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 383.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 11574515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).