N-(4-methoxyphenyl)-2-[4-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)piperazin-1-yl]acetamide

C22H23N7O2 — CID 118713199

IUPACN-(4-methoxyphenyl)-2-[4-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3nn4cnnc4c4ccccc34)CC2)cc1
InChIInChI=1S/C22H23N7O2/c1-31-17-8-6-16(7-9-17)24-20(30)14-27-10-12-28(13-11-27)22-19-5-3-2-4-18(19)21-25-23-15-29(21)26-22/h2-9,15H,10-14H2,1H3,(H,24,30)
InChIKeyGAOWNPPXBZHLIS-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.05
Rot. Bonds5

About N-(4-methoxyphenyl)-2-[4-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)piperazin-1-yl]acetamide

N-(4-methoxyphenyl)-2-[4-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)piperazin-1-yl]acetamide (PubChem CID 118713199) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)piperazin-1-yl]acetamide
PubChem CID118713199
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC NameN-(4-methoxyphenyl)-2-[4-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3nn4cnnc4c4ccccc34)CC2)cc1
InChIInChI=1S/C22H23N7O2/c1-31-17-8-6-16(7-9-17)24-20(30)14-27-10-12-28(13-11-27)22-19-5-3-2-4-18(19)21-25-23-15-29(21)26-22/h2-9,15H,10-14H2,1H3,(H,24,30)
InChIKeyGAOWNPPXBZHLIS-UHFFFAOYSA-N
XLogP2.05
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)piperazin-1-yl]acetamide (CID 118713199) is N-(4-methoxyphenyl)-2-[4-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)piperazin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCN(c3nn4cnnc4c4ccccc34)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)piperazin-1-yl]acetamide?
The InChIKey is GAOWNPPXBZHLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-31-17-8-6-16(7-9-17)24-20(30)14-27-10-12-28(13-11-27)22-19-5-3-2-4-18(19)21-25-23-15-29(21)26-22/h2-9,15H,10-14H2,1H3,(H,24,30).
What are the key properties of N-(4-methoxyphenyl)-2-[4-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)piperazin-1-yl]acetamide?
N-(4-methoxyphenyl)-2-[4-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)piperazin-1-yl]acetamide has a molecular weight of 417.47 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 118713199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).