5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one

C13H21ClN4O — CID 134038847

IUPAC5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one
SMILESCC(C)CN1CCC(Nc2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C13H21ClN4O/c1-9(2)8-18-5-3-10(4-6-18)16-11-7-15-17-13(19)12(11)14/h7,9-10H,3-6,8H2,1-2H3,(H2,16,17,19)
InChIKeyNHVXQSYFRLPVEK-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.96
Rot. Bonds4

About 5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one

5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one (PubChem CID 134038847) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one
PubChem CID134038847
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one
SMILESCC(C)CN1CCC(Nc2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C13H21ClN4O/c1-9(2)8-18-5-3-10(4-6-18)16-11-7-15-17-13(19)12(11)14/h7,9-10H,3-6,8H2,1-2H3,(H2,16,17,19)
InChIKeyNHVXQSYFRLPVEK-UHFFFAOYSA-N
XLogP1.96
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-(cyclobutylamino)-1H-pyridazin-6-one
CID 78950467
5-chloro-4-[(4-hydroxycyclohexyl)amino]-1H-pyridazin-6-one
CID 78913346
5-chloro-4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyridazin-6-one
CID 112753380
5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one
CID 133417471
5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one
CID 78955295
5-chloro-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyridazin-6-one
CID 78997179
5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one
CID 97209139
5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one
CID 106996144
5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one
CID 114504898
N-(2-ethylphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103930824
5-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-1H-pyridazin-6-one
CID 133330747
5-chloro-4-[(2-cyclopropyloxan-4-yl)amino]-1H-pyridazin-6-one
CID 133473763

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one (CID 134038847) is 5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one is CC(C)CN1CCC(Nc2cn[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one?
The InChIKey is NHVXQSYFRLPVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-9(2)8-18-5-3-10(4-6-18)16-11-7-15-17-13(19)12(11)14/h7,9-10H,3-6,8H2,1-2H3,(H2,16,17,19).
What are the key properties of 5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one?
5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one has a molecular weight of 284.79 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one is sourced from PubChem (CID 134038847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).