2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one

C12H14N4O — CID 62850152

IUPAC2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one
SMILESCCNc1cc(Cn2ncccc2=O)ccn1
InChIInChI=1S/C12H14N4O/c1-2-13-11-8-10(5-7-14-11)9-16-12(17)4-3-6-15-16/h3-8H,2,9H2,1H3,(H,13,14)
InChIKeyLZKLTZZBDJMCHD-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.12
Rot. Bonds4

About 2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one

2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one (PubChem CID 62850152) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one
PubChem CID62850152
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one
SMILESCCNc1cc(Cn2ncccc2=O)ccn1
InChIInChI=1S/C12H14N4O/c1-2-13-11-8-10(5-7-14-11)9-16-12(17)4-3-6-15-16/h3-8H,2,9H2,1H3,(H,13,14)
InChIKeyLZKLTZZBDJMCHD-UHFFFAOYSA-N
XLogP1.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one (CID 62850152) is 2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one is CCNc1cc(Cn2ncccc2=O)ccn1.
What is the InChIKey of 2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one?
The InChIKey is LZKLTZZBDJMCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-13-11-8-10(5-7-14-11)9-16-12(17)4-3-6-15-16/h3-8H,2,9H2,1H3,(H,13,14).
What are the key properties of 2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one?
2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one has a molecular weight of 230.27 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one is sourced from PubChem (CID 62850152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).