4-[(3-hydroxycyclobutyl)methylamino]-1H-pyridazin-6-one

C9H13N3O2 — CID 114392313

IUPAC4-[(3-hydroxycyclobutyl)methylamino]-1H-pyridazin-6-one
SMILESO=c1cc(NCC2CC(O)C2)cn[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-1-6(2-8)4-10-7-3-9(14)12-11-5-7/h3,5-6,8,13H,1-2,4H2,(H2,10,12,14)
InChIKeyINERTZDXUSIGRL-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.05
Rot. Bonds3

About 4-[(3-hydroxycyclobutyl)methylamino]-1H-pyridazin-6-one

4-[(3-hydroxycyclobutyl)methylamino]-1H-pyridazin-6-one (PubChem CID 114392313) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-[(3-hydroxycyclobutyl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxycyclobutyl)methylamino]-1H-pyridazin-6-one
PubChem CID114392313
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-[(3-hydroxycyclobutyl)methylamino]-1H-pyridazin-6-one
SMILESO=c1cc(NCC2CC(O)C2)cn[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-1-6(2-8)4-10-7-3-9(14)12-11-5-7/h3,5-6,8,13H,1-2,4H2,(H2,10,12,14)
InChIKeyINERTZDXUSIGRL-UHFFFAOYSA-N
XLogP-0.05
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(3-hydroxycyclobutyl)methylamino]-1H-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 4-[(3-hydroxycyclobutyl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 4-[(3-hydroxycyclobutyl)methylamino]-1H-pyridazin-6-one (CID 114392313) is 4-[(3-hydroxycyclobutyl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[(3-hydroxycyclobutyl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[(3-hydroxycyclobutyl)methylamino]-1H-pyridazin-6-one is O=c1cc(NCC2CC(O)C2)cn[nH]1.
What is the InChIKey of 4-[(3-hydroxycyclobutyl)methylamino]-1H-pyridazin-6-one?
The InChIKey is INERTZDXUSIGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8-1-6(2-8)4-10-7-3-9(14)12-11-5-7/h3,5-6,8,13H,1-2,4H2,(H2,10,12,14).
What are the key properties of 4-[(3-hydroxycyclobutyl)methylamino]-1H-pyridazin-6-one?
4-[(3-hydroxycyclobutyl)methylamino]-1H-pyridazin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclobutyl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 114392313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).