5-(4-methylpiperazin-1-yl)-2-[2-[(3R)-oxolan-3-yl]ethyl]pyridazin-3-one

C15H24N4O2 — CID 95713834

IUPAC5-(4-methylpiperazin-1-yl)-2-[2-[(3R)-oxolan-3-yl]ethyl]pyridazin-3-one
SMILESCN1CCN(c2cnn(CC[C@@H]3CCOC3)c(=O)c2)CC1
InChIInChI=1S/C15H24N4O2/c1-17-5-7-18(8-6-17)14-10-15(20)19(16-11-14)4-2-13-3-9-21-12-13/h10-11,13H,2-9,12H2,1H3/t13-/m1/s1
InChIKeyHOFFOEDGWAPODN-CYBMUJFWSA-N
MW292.38 g/mol
LogP0.42
Rot. Bonds4

About 5-(4-methylpiperazin-1-yl)-2-[2-[(3R)-oxolan-3-yl]ethyl]pyridazin-3-one

5-(4-methylpiperazin-1-yl)-2-[2-[(3R)-oxolan-3-yl]ethyl]pyridazin-3-one (PubChem CID 95713834) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-2-[2-[(3R)-oxolan-3-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-2-[2-[(3R)-oxolan-3-yl]ethyl]pyridazin-3-one
PubChem CID95713834
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-(4-methylpiperazin-1-yl)-2-[2-[(3R)-oxolan-3-yl]ethyl]pyridazin-3-one
SMILESCN1CCN(c2cnn(CC[C@@H]3CCOC3)c(=O)c2)CC1
InChIInChI=1S/C15H24N4O2/c1-17-5-7-18(8-6-17)14-10-15(20)19(16-11-14)4-2-13-3-9-21-12-13/h10-11,13H,2-9,12H2,1H3/t13-/m1/s1
InChIKeyHOFFOEDGWAPODN-CYBMUJFWSA-N
XLogP0.42
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-2-[2-[(3R)-oxolan-3-yl]ethyl]pyridazin-3-one?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-2-[2-[(3R)-oxolan-3-yl]ethyl]pyridazin-3-one (CID 95713834) is 5-(4-methylpiperazin-1-yl)-2-[2-[(3R)-oxolan-3-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-2-[2-[(3R)-oxolan-3-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-2-[2-[(3R)-oxolan-3-yl]ethyl]pyridazin-3-one is CN1CCN(c2cnn(CC[C@@H]3CCOC3)c(=O)c2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-2-[2-[(3R)-oxolan-3-yl]ethyl]pyridazin-3-one?
The InChIKey is HOFFOEDGWAPODN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-17-5-7-18(8-6-17)14-10-15(20)19(16-11-14)4-2-13-3-9-21-12-13/h10-11,13H,2-9,12H2,1H3/t13-/m1/s1.
What are the key properties of 5-(4-methylpiperazin-1-yl)-2-[2-[(3R)-oxolan-3-yl]ethyl]pyridazin-3-one?
5-(4-methylpiperazin-1-yl)-2-[2-[(3R)-oxolan-3-yl]ethyl]pyridazin-3-one has a molecular weight of 292.38 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-2-[2-[(3R)-oxolan-3-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 95713834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).