5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyridazin-6-one

C10H12ClN3O2 — CID 75539652

IUPAC5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC2CC3CCC2O3)c1Cl
InChIInChI=1S/C10H12ClN3O2/c11-9-7(4-12-14-10(9)15)13-6-3-5-1-2-8(6)16-5/h4-6,8H,1-3H2,(H2,13,14,15)
InChIKeyPTOGPLZJPWFPBI-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.16
Rot. Bonds2

About 5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyridazin-6-one

5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyridazin-6-one (PubChem CID 75539652) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyridazin-6-one
PubChem CID75539652
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC2CC3CCC2O3)c1Cl
InChIInChI=1S/C10H12ClN3O2/c11-9-7(4-12-14-10(9)15)13-6-3-5-1-2-8(6)16-5/h4-6,8H,1-3H2,(H2,13,14,15)
InChIKeyPTOGPLZJPWFPBI-UHFFFAOYSA-N
XLogP1.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-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

Related Compounds

4-Chloro-5-[(oxolan-2-ylmethyl)amino]-2-hydropyridazin-3-one
CID 3138583
4-Chloro-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114440496
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(7-oxabicyclo[2.2.1]heptan-2-yl)carbamate
CID 156563063
5-chloro-4-[[(2R)-oxolan-2-yl]methylamino]-1H-pyridazin-6-one
CID 722594
5-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1H-pyridazin-6-one
CID 722596
5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one
CID 47407222
4-Bromo-2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridazin-3-one
CID 75379851
5-chloro-4-[1-(oxolan-2-yl)ethylamino]-1H-pyridazin-6-one
CID 80747223
4-bromo-2-methyl-5-[[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]amino]pyridazin-3-one
CID 98849600
4-bromo-2-methyl-5-[[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]amino]pyridazin-3-one
CID 98849602
5-chloro-4-[[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]amino]-1H-pyridazin-6-one
CID 98849633
5-chloro-4-[[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]amino]-1H-pyridazin-6-one
CID 98849634

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyridazin-6-one (CID 75539652) is 5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyridazin-6-one is O=c1[nH]ncc(NC2CC3CCC2O3)c1Cl.
What is the InChIKey of 5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyridazin-6-one?
The InChIKey is PTOGPLZJPWFPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-9-7(4-12-14-10(9)15)13-6-3-5-1-2-8(6)16-5/h4-6,8H,1-3H2,(H2,13,14,15).
What are the key properties of 5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyridazin-6-one?
5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyridazin-6-one has a molecular weight of 241.68 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 75539652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).