5-[ethyl(methyl)amino]-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one

C12H19N3O2 — CID 102735287

IUPAC5-[ethyl(methyl)amino]-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one
SMILESCCN(C)c1cnn([C@H]2CCC[C@@H]2O)c(=O)c1
InChIInChI=1S/C12H19N3O2/c1-3-14(2)9-7-12(17)15(13-8-9)10-5-4-6-11(10)16/h7-8,10-11,16H,3-6H2,1-2H3/t10-,11-/m0/s1
InChIKeyDTIZCYPYLSCJFC-QWRGUYRKSA-N
MW237.30 g/mol
LogP0.79
Rot. Bonds3

About 5-[ethyl(methyl)amino]-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one

5-[ethyl(methyl)amino]-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one (PubChem CID 102735287) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one
PubChem CID102735287
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-[ethyl(methyl)amino]-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one
SMILESCCN(C)c1cnn([C@H]2CCC[C@@H]2O)c(=O)c1
InChIInChI=1S/C12H19N3O2/c1-3-14(2)9-7-12(17)15(13-8-9)10-5-4-6-11(10)16/h7-8,10-11,16H,3-6H2,1-2H3/t10-,11-/m0/s1
InChIKeyDTIZCYPYLSCJFC-QWRGUYRKSA-N
XLogP0.79
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)amino]-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one?
The IUPAC name of 5-[ethyl(methyl)amino]-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one (CID 102735287) is 5-[ethyl(methyl)amino]-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one.
What is the SMILES notation for 5-[ethyl(methyl)amino]-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one?
The canonical SMILES for 5-[ethyl(methyl)amino]-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one is CCN(C)c1cnn([C@H]2CCC[C@@H]2O)c(=O)c1.
What is the InChIKey of 5-[ethyl(methyl)amino]-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one?
The InChIKey is DTIZCYPYLSCJFC-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-14(2)9-7-12(17)15(13-8-9)10-5-4-6-11(10)16/h7-8,10-11,16H,3-6H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of 5-[ethyl(methyl)amino]-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one?
5-[ethyl(methyl)amino]-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one has a molecular weight of 237.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)amino]-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one is sourced from PubChem (CID 102735287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).