2-[(6-amino-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

C14H19N5O2 — CID 114395919

IUPAC2-[(6-amino-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(Cc2ccc(N)nc2)c(=O)c1
InChIInChI=1S/C14H19N5O2/c1-18(5-6-21-2)12-7-14(20)19(17-9-12)10-11-3-4-13(15)16-8-11/h3-4,7-9H,5-6,10H2,1-2H3,(H2,15,16)
InChIKeyUWJRBIAKTMKOJT-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.35
Rot. Bonds6

About 2-[(6-amino-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

2-[(6-amino-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 114395919) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[(6-amino-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[(6-amino-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
PubChem CID114395919
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[(6-amino-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(Cc2ccc(N)nc2)c(=O)c1
InChIInChI=1S/C14H19N5O2/c1-18(5-6-21-2)12-7-14(20)19(17-9-12)10-11-3-4-13(15)16-8-11/h3-4,7-9H,5-6,10H2,1-2H3,(H2,15,16)
InChIKeyUWJRBIAKTMKOJT-UHFFFAOYSA-N
XLogP0.35
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-bromophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396920
2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396924
2-[(5-bromo-2-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396927
2-[(5-bromo-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396921
2-[2-(2-aminoethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103482433
2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396159
2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396340
2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396760
2-(2-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394768
2-[2-(2-chloroethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394318
2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114393723
3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanethioamide
CID 114395810

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[(6-amino-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (CID 114395919) is 2-[(6-amino-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[(6-amino-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[(6-amino-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is COCCN(C)c1cnn(Cc2ccc(N)nc2)c(=O)c1.
What is the InChIKey of 2-[(6-amino-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is UWJRBIAKTMKOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-18(5-6-21-2)12-7-14(20)19(17-9-12)10-11-3-4-13(15)16-8-11/h3-4,7-9H,5-6,10H2,1-2H3,(H2,15,16).
What are the key properties of 2-[(6-amino-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
2-[(6-amino-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 289.34 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114395919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).