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

C13H21N3O2 — CID 102735290

IUPAC2-[(1S,2S)-2-hydroxycyclopentyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn([C@H]2CCC[C@@H]2O)c(=O)c1
InChIInChI=1S/C13H21N3O2/c1-3-7-15(2)10-8-13(18)16(14-9-10)11-5-4-6-12(11)17/h8-9,11-12,17H,3-7H2,1-2H3/t11-,12-/m0/s1
InChIKeyWZRVHNRBZJYZSX-RYUDHWBXSA-N
MW251.33 g/mol
LogP1.18
Rot. Bonds4

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

2-[(1S,2S)-2-hydroxycyclopentyl]-5-[methyl(propyl)amino]pyridazin-3-one (PubChem CID 102735290) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(1S,2S)-2-hydroxycyclopentyl]-5-[methyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[(1S,2S)-2-hydroxycyclopentyl]-5-[methyl(propyl)amino]pyridazin-3-one
PubChem CID102735290
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[(1S,2S)-2-hydroxycyclopentyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn([C@H]2CCC[C@@H]2O)c(=O)c1
InChIInChI=1S/C13H21N3O2/c1-3-7-15(2)10-8-13(18)16(14-9-10)11-5-4-6-12(11)17/h8-9,11-12,17H,3-7H2,1-2H3/t11-,12-/m0/s1
InChIKeyWZRVHNRBZJYZSX-RYUDHWBXSA-N
XLogP1.18
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-[methyl(propyl)amino]pyridazin-3-one (CID 102735290) is 2-[(1S,2S)-2-hydroxycyclopentyl]-5-[methyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-[methyl(propyl)amino]pyridazin-3-one is CCCN(C)c1cnn([C@H]2CCC[C@@H]2O)c(=O)c1.
What is the InChIKey of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The InChIKey is WZRVHNRBZJYZSX-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-7-15(2)10-8-13(18)16(14-9-10)11-5-4-6-12(11)17/h8-9,11-12,17H,3-7H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-[methyl(propyl)amino]pyridazin-3-one?
2-[(1S,2S)-2-hydroxycyclopentyl]-5-[methyl(propyl)amino]pyridazin-3-one has a molecular weight of 251.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-[methyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 102735290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).