5-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one

C13H21ClN4O2 — CID 114447078

IUPAC5-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(N2CC(CN)CC2C)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O2/c1-9-5-10(6-15)8-17(9)11-7-16-18(3-4-20-2)13(19)12(11)14/h7,9-10H,3-6,8,15H2,1-2H3
InChIKeyDKYGLZGPENDXNS-UHFFFAOYSA-N
MW300.79 g/mol
LogP0.72
Rot. Bonds5

About 5-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one

5-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 114447078) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID114447078
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name5-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(N2CC(CN)CC2C)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O2/c1-9-5-10(6-15)8-17(9)11-7-16-18(3-4-20-2)13(19)12(11)14/h7,9-10H,3-6,8,15H2,1-2H3
InChIKeyDKYGLZGPENDXNS-UHFFFAOYSA-N
XLogP0.72
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 5-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one (CID 114447078) is 5-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 5-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one is COCCn1ncc(N2CC(CN)CC2C)c(Cl)c1=O.
What is the InChIKey of 5-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is DKYGLZGPENDXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-9-5-10(6-15)8-17(9)11-7-16-18(3-4-20-2)13(19)12(11)14/h7,9-10H,3-6,8,15H2,1-2H3.
What are the key properties of 5-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one?
5-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 300.79 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 114447078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).