6-piperazin-1-yl-7,9-dihydropurin-8-one

C9H12N6O — CID 11586587

IUPAC6-piperazin-1-yl-7,9-dihydropurin-8-one
SMILESO=c1[nH]c2ncnc(N3CCNCC3)c2[nH]1
InChIInChI=1S/C9H12N6O/c16-9-13-6-7(14-9)11-5-12-8(6)15-3-1-10-2-4-15/h5,10H,1-4H2,(H2,11,12,13,14,16)
InChIKeyFCNPNXKAOVZNPK-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.94
Rot. Bonds1

About 6-piperazin-1-yl-7,9-dihydropurin-8-one

6-piperazin-1-yl-7,9-dihydropurin-8-one (PubChem CID 11586587) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 6-piperazin-1-yl-7,9-dihydropurin-8-one.

Molecular Properties

Compound Name6-piperazin-1-yl-7,9-dihydropurin-8-one
PubChem CID11586587
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name6-piperazin-1-yl-7,9-dihydropurin-8-one
SMILESO=c1[nH]c2ncnc(N3CCNCC3)c2[nH]1
InChIInChI=1S/C9H12N6O/c16-9-13-6-7(14-9)11-5-12-8(6)15-3-1-10-2-4-15/h5,10H,1-4H2,(H2,11,12,13,14,16)
InChIKeyFCNPNXKAOVZNPK-UHFFFAOYSA-N
XLogP-0.94
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-7,9-dihydropurin-8-one?
The IUPAC name of 6-piperazin-1-yl-7,9-dihydropurin-8-one (CID 11586587) is 6-piperazin-1-yl-7,9-dihydropurin-8-one.
What is the SMILES notation for 6-piperazin-1-yl-7,9-dihydropurin-8-one?
The canonical SMILES for 6-piperazin-1-yl-7,9-dihydropurin-8-one is O=c1[nH]c2ncnc(N3CCNCC3)c2[nH]1.
What is the InChIKey of 6-piperazin-1-yl-7,9-dihydropurin-8-one?
The InChIKey is FCNPNXKAOVZNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c16-9-13-6-7(14-9)11-5-12-8(6)15-3-1-10-2-4-15/h5,10H,1-4H2,(H2,11,12,13,14,16).
What are the key properties of 6-piperazin-1-yl-7,9-dihydropurin-8-one?
6-piperazin-1-yl-7,9-dihydropurin-8-one has a molecular weight of 220.24 g/mol, XLogP of -0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-7,9-dihydropurin-8-one is sourced from PubChem (CID 11586587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).