1-hydroxy-3-(4-methylpiperazin-1-yl)urea

C6H14N4O2 — CID 23526196

IUPAC1-hydroxy-3-(4-methylpiperazin-1-yl)urea
SMILESCN1CCN(NC(=O)NO)CC1
InChIInChI=1S/C6H14N4O2/c1-9-2-4-10(5-3-9)7-6(11)8-12/h12H,2-5H2,1H3,(H2,7,8,11)
InChIKeyDSOMVCXUNYTVNJ-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.16
Rot. Bonds1

About 1-hydroxy-3-(4-methylpiperazin-1-yl)urea

1-hydroxy-3-(4-methylpiperazin-1-yl)urea (PubChem CID 23526196) has the molecular formula C6H14N4O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-hydroxy-3-(4-methylpiperazin-1-yl)urea.

Molecular Properties

Compound Name1-hydroxy-3-(4-methylpiperazin-1-yl)urea
PubChem CID23526196
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Name1-hydroxy-3-(4-methylpiperazin-1-yl)urea
SMILESCN1CCN(NC(=O)NO)CC1
InChIInChI=1S/C6H14N4O2/c1-9-2-4-10(5-3-9)7-6(11)8-12/h12H,2-5H2,1H3,(H2,7,8,11)
InChIKeyDSOMVCXUNYTVNJ-UHFFFAOYSA-N
XLogP-1.16
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(4-methylpiperazin-1-yl)urea?
The IUPAC name of 1-hydroxy-3-(4-methylpiperazin-1-yl)urea (CID 23526196) is 1-hydroxy-3-(4-methylpiperazin-1-yl)urea.
What is the SMILES notation for 1-hydroxy-3-(4-methylpiperazin-1-yl)urea?
The canonical SMILES for 1-hydroxy-3-(4-methylpiperazin-1-yl)urea is CN1CCN(NC(=O)NO)CC1.
What is the InChIKey of 1-hydroxy-3-(4-methylpiperazin-1-yl)urea?
The InChIKey is DSOMVCXUNYTVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2/c1-9-2-4-10(5-3-9)7-6(11)8-12/h12H,2-5H2,1H3,(H2,7,8,11).
What are the key properties of 1-hydroxy-3-(4-methylpiperazin-1-yl)urea?
1-hydroxy-3-(4-methylpiperazin-1-yl)urea has a molecular weight of 174.20 g/mol, XLogP of -1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(4-methylpiperazin-1-yl)urea is sourced from PubChem (CID 23526196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).