(4-methoxyphenyl)-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]methanone

C20H19N7O2 — CID 90671275

IUPAC(4-methoxyphenyl)-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3nn4nnnc4c4ccccc34)CC2)cc1
InChIInChI=1S/C20H19N7O2/c1-29-15-8-6-14(7-9-15)20(28)26-12-10-25(11-13-26)19-17-5-3-2-4-16(17)18-21-23-24-27(18)22-19/h2-9H,10-13H2,1H3
InChIKeyLEAWUPGRDOBUHG-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.64
Rot. Bonds3

About (4-methoxyphenyl)-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]methanone

(4-methoxyphenyl)-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]methanone (PubChem CID 90671275) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]methanone
PubChem CID90671275
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name(4-methoxyphenyl)-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3nn4nnnc4c4ccccc34)CC2)cc1
InChIInChI=1S/C20H19N7O2/c1-29-15-8-6-14(7-9-15)20(28)26-12-10-25(11-13-26)19-17-5-3-2-4-16(17)18-21-23-24-27(18)22-19/h2-9H,10-13H2,1H3
InChIKeyLEAWUPGRDOBUHG-UHFFFAOYSA-N
XLogP1.64
TPSA88.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]methanone (CID 90671275) is (4-methoxyphenyl)-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3nn4nnnc4c4ccccc34)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]methanone?
The InChIKey is LEAWUPGRDOBUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-29-15-8-6-14(7-9-15)20(28)26-12-10-25(11-13-26)19-17-5-3-2-4-16(17)18-21-23-24-27(18)22-19/h2-9H,10-13H2,1H3.
What are the key properties of (4-methoxyphenyl)-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]methanone has a molecular weight of 389.42 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 90671275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).