1-[2-[(3R)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetyl]imidazolidin-2-one

C15H20N8O2 — CID 95290928

IUPAC1-[2-[(3R)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetyl]imidazolidin-2-one
SMILESC[C@@H]1CN(CC(=O)N2CCNC2=O)CCN1c1ccc2nncn2n1
InChIInChI=1S/C15H20N8O2/c1-11-8-20(9-14(24)22-5-4-16-15(22)25)6-7-21(11)13-3-2-12-18-17-10-23(12)19-13/h2-3,10-11H,4-9H2,1H3,(H,16,25)/t11-/m1/s1
InChIKeyFMEFGBVQLYQODO-LLVKDONJSA-N
MW344.38 g/mol
LogP-0.81
Rot. Bonds3

About 1-[2-[(3R)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetyl]imidazolidin-2-one

1-[2-[(3R)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetyl]imidazolidin-2-one (PubChem CID 95290928) has the molecular formula C15H20N8O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-[2-[(3R)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3R)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetyl]imidazolidin-2-one
PubChem CID95290928
Molecular FormulaC15H20N8O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name1-[2-[(3R)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetyl]imidazolidin-2-one
SMILESC[C@@H]1CN(CC(=O)N2CCNC2=O)CCN1c1ccc2nncn2n1
InChIInChI=1S/C15H20N8O2/c1-11-8-20(9-14(24)22-5-4-16-15(22)25)6-7-21(11)13-3-2-12-18-17-10-23(12)19-13/h2-3,10-11H,4-9H2,1H3,(H,16,25)/t11-/m1/s1
InChIKeyFMEFGBVQLYQODO-LLVKDONJSA-N
XLogP-0.81
TPSA98.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(3R)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetyl]imidazolidin-2-one (CID 95290928) is 1-[2-[(3R)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(3R)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(3R)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetyl]imidazolidin-2-one is C[C@@H]1CN(CC(=O)N2CCNC2=O)CCN1c1ccc2nncn2n1.
What is the InChIKey of 1-[2-[(3R)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetyl]imidazolidin-2-one?
The InChIKey is FMEFGBVQLYQODO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N8O2/c1-11-8-20(9-14(24)22-5-4-16-15(22)25)6-7-21(11)13-3-2-12-18-17-10-23(12)19-13/h2-3,10-11H,4-9H2,1H3,(H,16,25)/t11-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetyl]imidazolidin-2-one?
1-[2-[(3R)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetyl]imidazolidin-2-one has a molecular weight of 344.38 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 95290928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).