1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-oxo-1H-pyridazin-3-yl)urea

C12H19N5O2 — CID 108887250

IUPAC1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCN1CCC(N(C)C(=O)Nc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C12H19N5O2/c1-16-7-5-9(6-8-16)17(2)12(19)13-10-3-4-11(18)15-14-10/h3-4,9H,5-8H2,1-2H3,(H,15,18)(H,13,14,19)
InChIKeyRVXXWAVGGNQUAD-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.33
Rot. Bonds2

About 1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-oxo-1H-pyridazin-3-yl)urea

1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-oxo-1H-pyridazin-3-yl)urea (PubChem CID 108887250) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-oxo-1H-pyridazin-3-yl)urea.

Molecular Properties

Compound Name1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-oxo-1H-pyridazin-3-yl)urea
PubChem CID108887250
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCN1CCC(N(C)C(=O)Nc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C12H19N5O2/c1-16-7-5-9(6-8-16)17(2)12(19)13-10-3-4-11(18)15-14-10/h3-4,9H,5-8H2,1-2H3,(H,15,18)(H,13,14,19)
InChIKeyRVXXWAVGGNQUAD-UHFFFAOYSA-N
XLogP0.33
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The IUPAC name of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-oxo-1H-pyridazin-3-yl)urea (CID 108887250) is 1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-oxo-1H-pyridazin-3-yl)urea.
What is the SMILES notation for 1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The canonical SMILES for 1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-oxo-1H-pyridazin-3-yl)urea is CN1CCC(N(C)C(=O)Nc2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The InChIKey is RVXXWAVGGNQUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-16-7-5-9(6-8-16)17(2)12(19)13-10-3-4-11(18)15-14-10/h3-4,9H,5-8H2,1-2H3,(H,15,18)(H,13,14,19).
What are the key properties of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-oxo-1H-pyridazin-3-yl)urea has a molecular weight of 265.32 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-oxo-1H-pyridazin-3-yl)urea is sourced from PubChem (CID 108887250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).