2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one

C24H24N8O3 — CID 43062887

IUPAC2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one
SMILESO=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C24H24N8O3/c33-22-12-11-21(26-31(22)17-18-35-20-9-5-2-6-10-20)23(34)29-13-15-30(16-14-29)24-25-27-28-32(24)19-7-3-1-4-8-19/h1-12H,13-18H2
InChIKeyCNLYPRAJPIJKQJ-UHFFFAOYSA-N
MW472.51 g/mol
LogP1.26
Rot. Bonds7

About 2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one

2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 43062887) has the molecular formula C24H24N8O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is 2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one
PubChem CID43062887
Molecular FormulaC24H24N8O3
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC Name2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one
SMILESO=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C24H24N8O3/c33-22-12-11-21(26-31(22)17-18-35-20-9-5-2-6-10-20)23(34)29-13-15-30(16-14-29)24-25-27-28-32(24)19-7-3-1-4-8-19/h1-12H,13-18H2
InChIKeyCNLYPRAJPIJKQJ-UHFFFAOYSA-N
XLogP1.26
TPSA111.27 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 33466549
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one
CID 36674945
6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 36562735
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
6-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 51112139
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 38047108
(2-bromophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 2243329
2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 55836433
(4-bromo-3,5-dimethoxyphenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 46600708
N-[1-(furan-3-carbonyl)piperidin-4-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38213819
1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 55600868
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 32614789

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one (CID 43062887) is 2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one is O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is CNLYPRAJPIJKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O3/c33-22-12-11-21(26-31(22)17-18-35-20-9-5-2-6-10-20)23(34)29-13-15-30(16-14-29)24-25-27-28-32(24)19-7-3-1-4-8-19/h1-12H,13-18H2.
What are the key properties of 2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one?
2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 472.51 g/mol, XLogP of 1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 43062887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).