4-chloro-2-methyl-5-[(1-propan-2-ylpiperidin-3-yl)amino]pyridazin-3-one

C13H21ClN4O — CID 121472626

IUPAC4-chloro-2-methyl-5-[(1-propan-2-ylpiperidin-3-yl)amino]pyridazin-3-one
SMILESCC(C)N1CCCC(Nc2cnn(C)c(=O)c2Cl)C1
InChIInChI=1S/C13H21ClN4O/c1-9(2)18-6-4-5-10(8-18)16-11-7-15-17(3)13(19)12(11)14/h7,9-10,16H,4-6,8H2,1-3H3
InChIKeyIPUCZZYXVAKZGY-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.72
Rot. Bonds3

About 4-chloro-2-methyl-5-[(1-propan-2-ylpiperidin-3-yl)amino]pyridazin-3-one

4-chloro-2-methyl-5-[(1-propan-2-ylpiperidin-3-yl)amino]pyridazin-3-one (PubChem CID 121472626) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(1-propan-2-ylpiperidin-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(1-propan-2-ylpiperidin-3-yl)amino]pyridazin-3-one
PubChem CID121472626
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name4-chloro-2-methyl-5-[(1-propan-2-ylpiperidin-3-yl)amino]pyridazin-3-one
SMILESCC(C)N1CCCC(Nc2cnn(C)c(=O)c2Cl)C1
InChIInChI=1S/C13H21ClN4O/c1-9(2)18-6-4-5-10(8-18)16-11-7-15-17(3)13(19)12(11)14/h7,9-10,16H,4-6,8H2,1-3H3
InChIKeyIPUCZZYXVAKZGY-UHFFFAOYSA-N
XLogP1.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one
CID 121476448
4-Chloro-2-methyl-5-((1-methylpiperidin-3-yl)amino)pyridazin-3(2H)-one
CID 115611029
(S)-4-Chloro-2-methyl-5-((1-methylpiperidin-3-yl)amino)pyridazin-3(2H)-one
CID 121472643
4-chloro-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)piperidin-3-yl]amino]pyridazin-3-one
CID 121476460
4-chloranyl-2-methyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]pyridazin-3-one
CID 164607237
4-Chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
CID 113222223
5-(Azepan-3-ylamino)-4-chloro-2-methylpyridazin-3-one
CID 113585522
4-chloranyl-2-methyl-5-[[(3~{S})-pyrrolidin-3-yl]amino]pyridazin-3-one
CID 164607238
4-Chloro-2-methyl-5-[(1-methylpyrrolidin-3-yl)amino]pyridazin-3-one
CID 115611032
US10239861, Example 10
CID 114417743
US10239861, Example 30
CID 121472621
US10239861, Example 1
CID 121472623

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[(1-propan-2-ylpiperidin-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(1-propan-2-ylpiperidin-3-yl)amino]pyridazin-3-one (CID 121472626) is 4-chloro-2-methyl-5-[(1-propan-2-ylpiperidin-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(1-propan-2-ylpiperidin-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(1-propan-2-ylpiperidin-3-yl)amino]pyridazin-3-one is CC(C)N1CCCC(Nc2cnn(C)c(=O)c2Cl)C1.
What is the InChIKey of 4-chloro-2-methyl-5-[(1-propan-2-ylpiperidin-3-yl)amino]pyridazin-3-one?
The InChIKey is IPUCZZYXVAKZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-9(2)18-6-4-5-10(8-18)16-11-7-15-17(3)13(19)12(11)14/h7,9-10,16H,4-6,8H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-5-[(1-propan-2-ylpiperidin-3-yl)amino]pyridazin-3-one?
4-chloro-2-methyl-5-[(1-propan-2-ylpiperidin-3-yl)amino]pyridazin-3-one has a molecular weight of 284.79 g/mol, XLogP of 1.72, 3 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-[(1-propan-2-ylpiperidin-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 121472626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).