4-chloro-5-[[(3S,6S)-1,6-dimethylpiperidin-3-yl]amino]-2-methylpyridazin-3-one

C12H19ClN4O — CID 121476429

IUPAC4-chloro-5-[[(3S,6S)-1,6-dimethylpiperidin-3-yl]amino]-2-methylpyridazin-3-one
SMILESC[C@H]1CC[C@H](Nc2cnn(C)c(=O)c2Cl)CN1C
InChIInChI=1S/C12H19ClN4O/c1-8-4-5-9(7-16(8)2)15-10-6-14-17(3)12(18)11(10)13/h6,8-9,15H,4-5,7H2,1-3H3/t8-,9-/m0/s1
InChIKeyCFLOQDRDTBXOJC-IUCAKERBSA-N
MW270.76 g/mol
LogP1.33
Rot. Bonds2

About 4-chloro-5-[[(3S,6S)-1,6-dimethylpiperidin-3-yl]amino]-2-methylpyridazin-3-one

4-chloro-5-[[(3S,6S)-1,6-dimethylpiperidin-3-yl]amino]-2-methylpyridazin-3-one (PubChem CID 121476429) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-5-[[(3S,6S)-1,6-dimethylpiperidin-3-yl]amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[(3S,6S)-1,6-dimethylpiperidin-3-yl]amino]-2-methylpyridazin-3-one
PubChem CID121476429
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name4-chloro-5-[[(3S,6S)-1,6-dimethylpiperidin-3-yl]amino]-2-methylpyridazin-3-one
SMILESC[C@H]1CC[C@H](Nc2cnn(C)c(=O)c2Cl)CN1C
InChIInChI=1S/C12H19ClN4O/c1-8-4-5-9(7-16(8)2)15-10-6-14-17(3)12(18)11(10)13/h6,8-9,15H,4-5,7H2,1-3H3/t8-,9-/m0/s1
InChIKeyCFLOQDRDTBXOJC-IUCAKERBSA-N
XLogP1.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-[[(3S,6S)-1,6-dimethylpiperidin-3-yl]amino]-2-methylpyridazin-3-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-chloro-5-[[(3S,6S)-1,6-dimethylpiperidin-3-yl]amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[(3S,6S)-1,6-dimethylpiperidin-3-yl]amino]-2-methylpyridazin-3-one (CID 121476429) is 4-chloro-5-[[(3S,6S)-1,6-dimethylpiperidin-3-yl]amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[(3S,6S)-1,6-dimethylpiperidin-3-yl]amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[(3S,6S)-1,6-dimethylpiperidin-3-yl]amino]-2-methylpyridazin-3-one is C[C@H]1CC[C@H](Nc2cnn(C)c(=O)c2Cl)CN1C.
What is the InChIKey of 4-chloro-5-[[(3S,6S)-1,6-dimethylpiperidin-3-yl]amino]-2-methylpyridazin-3-one?
The InChIKey is CFLOQDRDTBXOJC-IUCAKERBSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-8-4-5-9(7-16(8)2)15-10-6-14-17(3)12(18)11(10)13/h6,8-9,15H,4-5,7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of 4-chloro-5-[[(3S,6S)-1,6-dimethylpiperidin-3-yl]amino]-2-methylpyridazin-3-one?
4-chloro-5-[[(3S,6S)-1,6-dimethylpiperidin-3-yl]amino]-2-methylpyridazin-3-one has a molecular weight of 270.76 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[(3S,6S)-1,6-dimethylpiperidin-3-yl]amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 121476429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).