2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one

C15H18N6O2 — CID 124760925

IUPAC2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1
InChIInChI=1S/C15H18N6O2/c22-14-2-1-6-16-21(14)10-15(23)19-7-5-12(8-19)20-9-13(17-18-20)11-3-4-11/h1-2,6,9,11-12H,3-5,7-8,10H2/t12-/m1/s1
InChIKeyRNEPHSZCXYXNMS-GFCCVEGCSA-N
MW314.35 g/mol
LogP0.19
Rot. Bonds4

About 2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one

2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 124760925) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID124760925
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1
InChIInChI=1S/C15H18N6O2/c22-14-2-1-6-16-21(14)10-15(23)19-7-5-12(8-19)20-9-13(17-18-20)11-3-4-11/h1-2,6,9,11-12H,3-5,7-8,10H2/t12-/m1/s1
InChIKeyRNEPHSZCXYXNMS-GFCCVEGCSA-N
XLogP0.19
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 121190555
1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone
CID 124760367
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 121190540
2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121021120
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
1-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-naphthalen-1-ylethanone
CID 124891823
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-(2,4-difluorophenyl)ethanone
CID 121190624
3-(2-bromophenyl)-1-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 124760129
2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 126851060
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121190589
1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 55126730
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 121190641

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 124760925) is 2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one is O=C(Cn1ncccc1=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1.
What is the InChIKey of 2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is RNEPHSZCXYXNMS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N6O2/c22-14-2-1-6-16-21(14)10-15(23)19-7-5-12(8-19)20-9-13(17-18-20)11-3-4-11/h1-2,6,9,11-12H,3-5,7-8,10H2/t12-/m1/s1.
What are the key properties of 2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 314.35 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 124760925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).