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

C20H20N6O — CID 35338056

IUPAC6-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCOc1ccc(N2CCN(c3nn4cnnc4c4ccccc34)CC2)cc1
InChIInChI=1S/C20H20N6O/c1-27-16-8-6-15(7-9-16)24-10-12-25(13-11-24)20-18-5-3-2-4-17(18)19-22-21-14-26(19)23-20/h2-9,14H,10-13H2,1H3
InChIKeyYADLKABTZDOIFU-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.61
Rot. Bonds3

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

6-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 35338056) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID35338056
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name6-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCOc1ccc(N2CCN(c3nn4cnnc4c4ccccc34)CC2)cc1
InChIInChI=1S/C20H20N6O/c1-27-16-8-6-15(7-9-16)24-10-12-25(13-11-24)20-18-5-3-2-4-17(18)19-22-21-14-26(19)23-20/h2-9,14H,10-13H2,1H3
InChIKeyYADLKABTZDOIFU-UHFFFAOYSA-N
XLogP2.61
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 35181905
N-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 22432672
6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 176504605
3-chloro-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline
CID 22109194
1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1301905
N-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42690891
N-[(3-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42690905
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine
CID 6401297
1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110454928
4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline
CID 155805514
4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)phthalazine-1-carboxamide
CID 42878384

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-a]phthalazine (CID 35338056) is 6-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-a]phthalazine is COc1ccc(N2CCN(c3nn4cnnc4c4ccccc34)CC2)cc1.
What is the InChIKey of 6-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is YADLKABTZDOIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-27-16-8-6-15(7-9-16)24-10-12-25(13-11-24)20-18-5-3-2-4-17(18)19-22-21-14-26(19)23-20/h2-9,14H,10-13H2,1H3.
What are the key properties of 6-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-a]phthalazine?
6-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 360.42 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 35338056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).