4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one

C20H19N5O2 — CID 137029448

IUPAC4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one
SMILESNc1nnc(-c2ccccc2O)cc1N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C20H19N5O2/c21-20-17(12-16(22-23-20)15-8-4-5-9-18(15)26)24-10-11-25(19(27)13-24)14-6-2-1-3-7-14/h1-9,12,26H,10-11,13H2,(H2,21,23)
InChIKeySETATQZCDJCTKO-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.28
Rot. Bonds3

About 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one

4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one (PubChem CID 137029448) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one
PubChem CID137029448
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one
SMILESNc1nnc(-c2ccccc2O)cc1N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C20H19N5O2/c21-20-17(12-16(22-23-20)15-8-4-5-9-18(15)26)24-10-11-25(19(27)13-24)14-6-2-1-3-7-14/h1-9,12,26H,10-11,13H2,(H2,21,23)
InChIKeySETATQZCDJCTKO-UHFFFAOYSA-N
XLogP2.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]benzaldehyde
CID 155390949
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 147428670
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane
CID 171638010
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone;ethane
CID 160949822
2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 171638960
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 169079538
2-[6-amino-5-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenol
CID 152825660
8-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 137029575
2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol
CID 137029504
1-[(2R,6R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,6-dimethylpiperazin-1-yl]ethanone
CID 137029449
1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-one
CID 170625148
2-[6-amino-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyridazin-3-yl]phenol
CID 137029572

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one (CID 137029448) is 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one is Nc1nnc(-c2ccccc2O)cc1N1CCN(c2ccccc2)C(=O)C1.
What is the InChIKey of 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one?
The InChIKey is SETATQZCDJCTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c21-20-17(12-16(22-23-20)15-8-4-5-9-18(15)26)24-10-11-25(19(27)13-24)14-6-2-1-3-7-14/h1-9,12,26H,10-11,13H2,(H2,21,23).
What are the key properties of 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one?
4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one has a molecular weight of 361.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 137029448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).