5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one

C13H21ClN4O — CID 78955295

IUPAC5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one
SMILESCC(CNc1cn[nH]c(=O)c1Cl)CN1CCCCC1
InChIInChI=1S/C13H21ClN4O/c1-10(9-18-5-3-2-4-6-18)7-15-11-8-16-17-13(19)12(11)14/h8,10H,2-7,9H2,1H3,(H2,15,17,19)
InChIKeyWYNYOUUVJYBKMP-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.96
Rot. Bonds5

About 5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one

5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one (PubChem CID 78955295) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one
PubChem CID78955295
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one
SMILESCC(CNc1cn[nH]c(=O)c1Cl)CN1CCCCC1
InChIInChI=1S/C13H21ClN4O/c1-10(9-18-5-3-2-4-6-18)7-15-11-8-16-17-13(19)12(11)14/h8,10H,2-7,9H2,1H3,(H2,15,17,19)
InChIKeyWYNYOUUVJYBKMP-UHFFFAOYSA-N
XLogP1.96
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one
CID 134038847
5-chloro-4-(prop-2-ynylamino)-1H-pyridazin-6-one
CID 78913319
6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 60967566
5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one
CID 103742941
4-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4,5-diamine
CID 82239020
6-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrazin-2-amine
CID 62992157
5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one
CID 94179576
5-chloro-4-(3,3-dimethylbutan-2-ylamino)-1H-pyridazin-6-one
CID 104828828
2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-4-nitroaniline
CID 60967018
4-[(2-amino-2-phenylethyl)amino]-5-chloro-1H-pyridazin-6-one
CID 80747062
5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one
CID 115586247
5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine
CID 103582417

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one (CID 78955295) is 5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one is CC(CNc1cn[nH]c(=O)c1Cl)CN1CCCCC1.
What is the InChIKey of 5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one?
The InChIKey is WYNYOUUVJYBKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-10(9-18-5-3-2-4-6-18)7-15-11-8-16-17-13(19)12(11)14/h8,10H,2-7,9H2,1H3,(H2,15,17,19).
What are the key properties of 5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one?
5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one has a molecular weight of 284.79 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 78955295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).