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

C10H15ClN4O — CID 80746229

IUPAC4-[2-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyridazin-6-one
SMILESNCC1CCCCN1c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C10H15ClN4O/c11-9-8(6-13-14-10(9)16)15-4-2-1-3-7(15)5-12/h6-7H,1-5,12H2,(H,14,16)
InChIKeyGJRAGSVZUZXZNJ-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.74
Rot. Bonds2

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

4-[2-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyridazin-6-one (PubChem CID 80746229) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-[2-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyridazin-6-one
PubChem CID80746229
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-[2-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyridazin-6-one
SMILESNCC1CCCCN1c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C10H15ClN4O/c11-9-8(6-13-14-10(9)16)15-4-2-1-3-7(15)5-12/h6-7H,1-5,12H2,(H,14,16)
InChIKeyGJRAGSVZUZXZNJ-UHFFFAOYSA-N
XLogP0.74
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(2-pentan-2-ylpyrrolidin-1-yl)-1H-pyridazin-6-one
CID 133377080
5-chloro-4-[(2S)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]-1H-pyridazin-6-one
CID 95293177
2-[1-(5-amino-1H-pyrazol-4-yl)piperidin-2-yl]ethanol
CID 82236215
4-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-5-chloro-1H-pyridazin-6-one
CID 47464199
4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136977760
4-chloro-5-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one
CID 82213966
2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide
CID 63082965
[1-(5-nitro-1H-pyrazol-4-yl)piperidin-2-yl]methanol
CID 114988278
4-[(2S)-2-(prop-2-ynoxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146218965
1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326854
5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one
CID 47151514
[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
CID 63872286

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyridazin-6-one?
The IUPAC name of 4-[2-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyridazin-6-one (CID 80746229) is 4-[2-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyridazin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyridazin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyridazin-6-one is NCC1CCCCN1c1cn[nH]c(=O)c1Cl.
What is the InChIKey of 4-[2-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyridazin-6-one?
The InChIKey is GJRAGSVZUZXZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c11-9-8(6-13-14-10(9)16)15-4-2-1-3-7(15)5-12/h6-7H,1-5,12H2,(H,14,16).
What are the key properties of 4-[2-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyridazin-6-one?
4-[2-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyridazin-6-one has a molecular weight of 242.71 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyridazin-6-one is sourced from PubChem (CID 80746229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).