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

C19H15N5O — CID 7217794

IUPAC3-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)c1
InChIInChI=1S/C19H15N5O/c1-13-4-2-6-15(10-13)19(25)21-16-7-3-5-14(11-16)17-8-9-18-22-20-12-24(18)23-17/h2-12H,1H3,(H,21,25)
InChIKeyNCSCKZKEFYVJRU-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.35
Rot. Bonds3

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

3-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (PubChem CID 7217794) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
PubChem CID7217794
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name3-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)c1
InChIInChI=1S/C19H15N5O/c1-13-4-2-6-15(10-13)19(25)21-16-7-3-5-14(11-16)17-8-9-18-22-20-12-24(18)23-17/h2-12H,1H3,(H,21,25)
InChIKeyNCSCKZKEFYVJRU-UHFFFAOYSA-N
XLogP3.35
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (CID 7217794) is 3-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is Cc1cccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)c1.
What is the InChIKey of 3-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The InChIKey is NCSCKZKEFYVJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-13-4-2-6-15(10-13)19(25)21-16-7-3-5-14(11-16)17-8-9-18-22-20-12-24(18)23-17/h2-12H,1H3,(H,21,25).
What are the key properties of 3-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
3-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide has a molecular weight of 329.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is sourced from PubChem (CID 7217794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).