3-amino-5-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one

C12H11N5O2 — CID 6413030

IUPAC3-amino-5-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCOc1ccc(-n2nc3c(N)n[nH]c3cc2=O)cc1
InChIInChI=1S/C12H11N5O2/c1-19-8-4-2-7(3-5-8)17-10(18)6-9-11(16-17)12(13)15-14-9/h2-6,14H,1H3,(H2,13,15)
InChIKeyPAQDIKCFPDNCQQ-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.70
Rot. Bonds2

About 3-amino-5-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one

3-amino-5-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 6413030) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-amino-5-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name3-amino-5-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID6413030
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name3-amino-5-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCOc1ccc(-n2nc3c(N)n[nH]c3cc2=O)cc1
InChIInChI=1S/C12H11N5O2/c1-19-8-4-2-7(3-5-8)17-10(18)6-9-11(16-17)12(13)15-14-9/h2-6,14H,1H3,(H2,13,15)
InChIKeyPAQDIKCFPDNCQQ-UHFFFAOYSA-N
XLogP0.70
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 3-amino-5-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 6413030) is 3-amino-5-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 3-amino-5-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 3-amino-5-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one is COc1ccc(-n2nc3c(N)n[nH]c3cc2=O)cc1.
What is the InChIKey of 3-amino-5-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is PAQDIKCFPDNCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-19-8-4-2-7(3-5-8)17-10(18)6-9-11(16-17)12(13)15-14-9/h2-6,14H,1H3,(H2,13,15).
What are the key properties of 3-amino-5-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
3-amino-5-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 257.25 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 6413030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).