1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-pyridazin-4-ylurea

C12H17N5O2 — CID 175838362

IUPAC1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-pyridazin-4-ylurea
SMILESCC(C)N1CC(NC(=O)Nc2ccnnc2)CC1=O
InChIInChI=1S/C12H17N5O2/c1-8(2)17-7-10(5-11(17)18)16-12(19)15-9-3-4-13-14-6-9/h3-4,6,8,10H,5,7H2,1-2H3,(H2,13,15,16,19)
InChIKeyWVKDVZIVYMPITM-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.61
Rot. Bonds3

About 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-pyridazin-4-ylurea

1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-pyridazin-4-ylurea (PubChem CID 175838362) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-pyridazin-4-ylurea.

Molecular Properties

Compound Name1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-pyridazin-4-ylurea
PubChem CID175838362
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-pyridazin-4-ylurea
SMILESCC(C)N1CC(NC(=O)Nc2ccnnc2)CC1=O
InChIInChI=1S/C12H17N5O2/c1-8(2)17-7-10(5-11(17)18)16-12(19)15-9-3-4-13-14-6-9/h3-4,6,8,10H,5,7H2,1-2H3,(H2,13,15,16,19)
InChIKeyWVKDVZIVYMPITM-UHFFFAOYSA-N
XLogP0.61
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-pyridazin-4-ylurea?
The IUPAC name of 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-pyridazin-4-ylurea (CID 175838362) is 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-pyridazin-4-ylurea.
What is the SMILES notation for 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-pyridazin-4-ylurea?
The canonical SMILES for 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-pyridazin-4-ylurea is CC(C)N1CC(NC(=O)Nc2ccnnc2)CC1=O.
What is the InChIKey of 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-pyridazin-4-ylurea?
The InChIKey is WVKDVZIVYMPITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8(2)17-7-10(5-11(17)18)16-12(19)15-9-3-4-13-14-6-9/h3-4,6,8,10H,5,7H2,1-2H3,(H2,13,15,16,19).
What are the key properties of 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-pyridazin-4-ylurea?
1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-pyridazin-4-ylurea has a molecular weight of 263.30 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-pyridazin-4-ylurea is sourced from PubChem (CID 175838362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).