2,3-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide

C20H17N5O3 — CID 7217780

IUPAC2,3-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)c1OC
InChIInChI=1S/C20H17N5O3/c1-27-17-8-4-7-15(19(17)28-2)20(26)22-14-6-3-5-13(11-14)16-9-10-18-23-21-12-25(18)24-16/h3-12H,1-2H3,(H,22,26)
InChIKeyUVPVWMSHZAVWQC-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.06
Rot. Bonds5

About 2,3-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide

2,3-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (PubChem CID 7217780) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
PubChem CID7217780
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name2,3-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)c1OC
InChIInChI=1S/C20H17N5O3/c1-27-17-8-4-7-15(19(17)28-2)20(26)22-14-6-3-5-13(11-14)16-9-10-18-23-21-12-25(18)24-16/h3-12H,1-2H3,(H,22,26)
InChIKeyUVPVWMSHZAVWQC-UHFFFAOYSA-N
XLogP3.06
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (CID 7217780) is 2,3-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The InChIKey is UVPVWMSHZAVWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-27-17-8-4-7-15(19(17)28-2)20(26)22-14-6-3-5-13(11-14)16-9-10-18-23-21-12-25(18)24-16/h3-12H,1-2H3,(H,22,26).
What are the key properties of 2,3-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
2,3-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide has a molecular weight of 375.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is sourced from PubChem (CID 7217780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).