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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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).