(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzoate

C14H12N4O3 — CID 3265032

IUPAC(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cc(C)nn3cnnc23)cc1
InChIInChI=1S/C14H12N4O3/c1-9-7-12(13-16-15-8-18(13)17-9)21-14(19)10-3-5-11(20-2)6-4-10/h3-8H,1-2H3
InChIKeyTZNSQCSCCALZRS-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.66
Rot. Bonds3

About (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzoate

(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzoate (PubChem CID 3265032) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzoate.

Molecular Properties

Compound Name(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzoate
PubChem CID3265032
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cc(C)nn3cnnc23)cc1
InChIInChI=1S/C14H12N4O3/c1-9-7-12(13-16-15-8-18(13)17-9)21-14(19)10-3-5-11(20-2)6-4-10/h3-8H,1-2H3
InChIKeyTZNSQCSCCALZRS-UHFFFAOYSA-N
XLogP1.66
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzoate?
The IUPAC name of (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzoate (CID 3265032) is (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzoate.
What is the SMILES notation for (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzoate?
The canonical SMILES for (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzoate is COc1ccc(C(=O)Oc2cc(C)nn3cnnc23)cc1.
What is the InChIKey of (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzoate?
The InChIKey is TZNSQCSCCALZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-9-7-12(13-16-15-8-18(13)17-9)21-14(19)10-3-5-11(20-2)6-4-10/h3-8H,1-2H3.
What are the key properties of (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzoate?
(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzoate has a molecular weight of 284.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzoate is sourced from PubChem (CID 3265032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).