1-(6-oxo-1H-pyridazin-3-yl)-3-(2-piperazin-1-ylethyl)urea

C11H18N6O2 — CID 108887318

IUPAC1-(6-oxo-1H-pyridazin-3-yl)-3-(2-piperazin-1-ylethyl)urea
SMILESO=C(NCCN1CCNCC1)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H18N6O2/c18-10-2-1-9(15-16-10)14-11(19)13-5-8-17-6-3-12-4-7-17/h1-2,12H,3-8H2,(H,16,18)(H2,13,14,15,19)
InChIKeyYZAOSIYUBQZNBI-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.20
Rot. Bonds4

About 1-(6-oxo-1H-pyridazin-3-yl)-3-(2-piperazin-1-ylethyl)urea

1-(6-oxo-1H-pyridazin-3-yl)-3-(2-piperazin-1-ylethyl)urea (PubChem CID 108887318) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-3-yl)-3-(2-piperazin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-3-yl)-3-(2-piperazin-1-ylethyl)urea
PubChem CID108887318
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name1-(6-oxo-1H-pyridazin-3-yl)-3-(2-piperazin-1-ylethyl)urea
SMILESO=C(NCCN1CCNCC1)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H18N6O2/c18-10-2-1-9(15-16-10)14-11(19)13-5-8-17-6-3-12-4-7-17/h1-2,12H,3-8H2,(H,16,18)(H2,13,14,15,19)
InChIKeyYZAOSIYUBQZNBI-UHFFFAOYSA-N
XLogP-1.20
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazin-3-yl)-3-(2-piperazin-1-ylethyl)urea?
The IUPAC name of 1-(6-oxo-1H-pyridazin-3-yl)-3-(2-piperazin-1-ylethyl)urea (CID 108887318) is 1-(6-oxo-1H-pyridazin-3-yl)-3-(2-piperazin-1-ylethyl)urea.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-3-yl)-3-(2-piperazin-1-ylethyl)urea?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-3-yl)-3-(2-piperazin-1-ylethyl)urea is O=C(NCCN1CCNCC1)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-3-yl)-3-(2-piperazin-1-ylethyl)urea?
The InChIKey is YZAOSIYUBQZNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c18-10-2-1-9(15-16-10)14-11(19)13-5-8-17-6-3-12-4-7-17/h1-2,12H,3-8H2,(H,16,18)(H2,13,14,15,19).
What are the key properties of 1-(6-oxo-1H-pyridazin-3-yl)-3-(2-piperazin-1-ylethyl)urea?
1-(6-oxo-1H-pyridazin-3-yl)-3-(2-piperazin-1-ylethyl)urea has a molecular weight of 266.30 g/mol, XLogP of -1.20, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridazin-3-yl)-3-(2-piperazin-1-ylethyl)urea is sourced from PubChem (CID 108887318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).