4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one

C12H16N4O — CID 126851067

IUPAC4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
SMILESO=C1CN(c2ncnc3c2CCCC3)CCN1
InChIInChI=1S/C12H16N4O/c17-11-7-16(6-5-13-11)12-9-3-1-2-4-10(9)14-8-15-12/h8H,1-7H2,(H,13,17)
InChIKeyCZWCBPSUVMVMLS-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.29
Rot. Bonds1

About 4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one

4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one (PubChem CID 126851067) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
PubChem CID126851067
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
SMILESO=C1CN(c2ncnc3c2CCCC3)CCN1
InChIInChI=1S/C12H16N4O/c17-11-7-16(6-5-13-11)12-9-3-1-2-4-10(9)14-8-15-12/h8H,1-7H2,(H,13,17)
InChIKeyCZWCBPSUVMVMLS-UHFFFAOYSA-N
XLogP0.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one?
The IUPAC name of 4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one (CID 126851067) is 4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one.
What is the SMILES notation for 4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one?
The canonical SMILES for 4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one is O=C1CN(c2ncnc3c2CCCC3)CCN1.
What is the InChIKey of 4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one?
The InChIKey is CZWCBPSUVMVMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-11-7-16(6-5-13-11)12-9-3-1-2-4-10(9)14-8-15-12/h8H,1-7H2,(H,13,17).
What are the key properties of 4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one?
4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one has a molecular weight of 232.29 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one is sourced from PubChem (CID 126851067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).