4-chloro-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)piperidin-3-yl]amino]pyridazin-3-one

C15H25ClN4O — CID 121476460

IUPAC4-chloro-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)piperidin-3-yl]amino]pyridazin-3-one
SMILESCC(C)C[C@H]1C[C@@H](Nc2cnn(C)c(=O)c2Cl)CN(C)C1
InChIInChI=1S/C15H25ClN4O/c1-10(2)5-11-6-12(9-19(3)8-11)18-13-7-17-20(4)15(21)14(13)16/h7,10-12,18H,5-6,8-9H2,1-4H3/t11-,12+/m0/s1
InChIKeyPYCNZAAZGQDRJG-NWDGAFQWSA-N
MW312.85 g/mol
LogP2.21
Rot. Bonds4

About 4-chloro-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)piperidin-3-yl]amino]pyridazin-3-one

4-chloro-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)piperidin-3-yl]amino]pyridazin-3-one (PubChem CID 121476460) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)piperidin-3-yl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)piperidin-3-yl]amino]pyridazin-3-one
PubChem CID121476460
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name4-chloro-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)piperidin-3-yl]amino]pyridazin-3-one
SMILESCC(C)C[C@H]1C[C@@H](Nc2cnn(C)c(=O)c2Cl)CN(C)C1
InChIInChI=1S/C15H25ClN4O/c1-10(2)5-11-6-12(9-19(3)8-11)18-13-7-17-20(4)15(21)14(13)16/h7,10-12,18H,5-6,8-9H2,1-4H3/t11-,12+/m0/s1
InChIKeyPYCNZAAZGQDRJG-NWDGAFQWSA-N
XLogP2.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)piperidin-3-yl]amino]pyridazin-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-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)piperidin-3-yl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)piperidin-3-yl]amino]pyridazin-3-one (CID 121476460) is 4-chloro-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)piperidin-3-yl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)piperidin-3-yl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)piperidin-3-yl]amino]pyridazin-3-one is CC(C)C[C@H]1C[C@@H](Nc2cnn(C)c(=O)c2Cl)CN(C)C1.
What is the InChIKey of 4-chloro-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)piperidin-3-yl]amino]pyridazin-3-one?
The InChIKey is PYCNZAAZGQDRJG-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-10(2)5-11-6-12(9-19(3)8-11)18-13-7-17-20(4)15(21)14(13)16/h7,10-12,18H,5-6,8-9H2,1-4H3/t11-,12+/m0/s1.
What are the key properties of 4-chloro-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)piperidin-3-yl]amino]pyridazin-3-one?
4-chloro-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)piperidin-3-yl]amino]pyridazin-3-one has a molecular weight of 312.85 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)piperidin-3-yl]amino]pyridazin-3-one is sourced from PubChem (CID 121476460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).