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

C23H17N5O — CID 4615292

IUPACN-[3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide
SMILESCc1nn2c(-c3cccc(NC(=O)c4ccccc4)c3)nnc2c2ccccc12
InChIInChI=1S/C23H17N5O/c1-15-19-12-5-6-13-20(19)22-26-25-21(28(22)27-15)17-10-7-11-18(14-17)24-23(29)16-8-3-2-4-9-16/h2-14H,1H3,(H,24,29)
InChIKeyMVLPQPXVWSLBMN-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.51
Rot. Bonds3

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

N-[3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide (PubChem CID 4615292) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide
PubChem CID4615292
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC NameN-[3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide
SMILESCc1nn2c(-c3cccc(NC(=O)c4ccccc4)c3)nnc2c2ccccc12
InChIInChI=1S/C23H17N5O/c1-15-19-12-5-6-13-20(19)22-26-25-21(28(22)27-15)17-10-7-11-18(14-17)24-23(29)16-8-3-2-4-9-16/h2-14H,1H3,(H,24,29)
InChIKeyMVLPQPXVWSLBMN-UHFFFAOYSA-N
XLogP4.51
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide?
The IUPAC name of N-[3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide (CID 4615292) is N-[3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide.
What is the SMILES notation for N-[3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide?
The canonical SMILES for N-[3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide is Cc1nn2c(-c3cccc(NC(=O)c4ccccc4)c3)nnc2c2ccccc12.
What is the InChIKey of N-[3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide?
The InChIKey is MVLPQPXVWSLBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c1-15-19-12-5-6-13-20(19)22-26-25-21(28(22)27-15)17-10-7-11-18(14-17)24-23(29)16-8-3-2-4-9-16/h2-14H,1H3,(H,24,29).
What are the key properties of N-[3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide?
N-[3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide has a molecular weight of 379.42 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 4615292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).