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

C19H15N5O2 — CID 7217772

IUPAC4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1
InChIInChI=1S/C19H15N5O2/c1-26-16-7-5-13(6-8-16)19(25)21-15-4-2-3-14(11-15)17-9-10-18-22-20-12-24(18)23-17/h2-12H,1H3,(H,21,25)
InChIKeyMPYHCFFUIVSUEB-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.05
Rot. Bonds4

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

4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (PubChem CID 7217772) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
PubChem CID7217772
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1
InChIInChI=1S/C19H15N5O2/c1-26-16-7-5-13(6-8-16)19(25)21-15-4-2-3-14(11-15)17-9-10-18-22-20-12-24(18)23-17/h2-12H,1H3,(H,21,25)
InChIKeyMPYHCFFUIVSUEB-UHFFFAOYSA-N
XLogP3.05
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (CID 7217772) is 4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1.
What is the InChIKey of 4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The InChIKey is MPYHCFFUIVSUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-26-16-7-5-13(6-8-16)19(25)21-15-4-2-3-14(11-15)17-9-10-18-22-20-12-24(18)23-17/h2-12H,1H3,(H,21,25).
What are the key properties of 4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide has a molecular weight of 345.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is sourced from PubChem (CID 7217772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).