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

C14H15N5O2 — CID 137029370

IUPAC4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-2-one
SMILESNc1nnc(-c2ccccc2O)cc1N1CCNC(=O)C1
InChIInChI=1S/C14H15N5O2/c15-14-11(19-6-5-16-13(21)8-19)7-10(17-18-14)9-3-1-2-4-12(9)20/h1-4,7,20H,5-6,8H2,(H2,15,18)(H,16,21)
InChIKeyAVYUFHZTDWPSDQ-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.37
Rot. Bonds2

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

4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-2-one (PubChem CID 137029370) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-2-one
PubChem CID137029370
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-2-one
SMILESNc1nnc(-c2ccccc2O)cc1N1CCNC(=O)C1
InChIInChI=1S/C14H15N5O2/c15-14-11(19-6-5-16-13(21)8-19)7-10(17-18-14)9-3-1-2-4-12(9)20/h1-4,7,20H,5-6,8H2,(H2,15,18)(H,16,21)
InChIKeyAVYUFHZTDWPSDQ-UHFFFAOYSA-N
XLogP0.37
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-2-one?
The IUPAC name of 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-2-one (CID 137029370) is 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-2-one.
What is the SMILES notation for 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-2-one?
The canonical SMILES for 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-2-one is Nc1nnc(-c2ccccc2O)cc1N1CCNC(=O)C1.
What is the InChIKey of 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-2-one?
The InChIKey is AVYUFHZTDWPSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c15-14-11(19-6-5-16-13(21)8-19)7-10(17-18-14)9-3-1-2-4-12(9)20/h1-4,7,20H,5-6,8H2,(H2,15,18)(H,16,21).
What are the key properties of 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-2-one?
4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-2-one has a molecular weight of 285.31 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 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]piperazin-2-one is sourced from PubChem (CID 137029370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).