3-(piperazin-1-ylmethyl)-1H-pyrazin-2-one

C9H14N4O — CID 82505250

IUPAC3-(piperazin-1-ylmethyl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1CN1CCNCC1
InChIInChI=1S/C9H14N4O/c14-9-8(11-1-2-12-9)7-13-5-3-10-4-6-13/h1-2,10H,3-7H2,(H,12,14)
InChIKeyBLQWDXDMKSYZRD-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.82
Rot. Bonds2

About 3-(piperazin-1-ylmethyl)-1H-pyrazin-2-one

3-(piperazin-1-ylmethyl)-1H-pyrazin-2-one (PubChem CID 82505250) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)-1H-pyrazin-2-one
PubChem CID82505250
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-(piperazin-1-ylmethyl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1CN1CCNCC1
InChIInChI=1S/C9H14N4O/c14-9-8(11-1-2-12-9)7-13-5-3-10-4-6-13/h1-2,10H,3-7H2,(H,12,14)
InChIKeyBLQWDXDMKSYZRD-UHFFFAOYSA-N
XLogP-0.82
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)-1H-pyrazin-2-one?
The IUPAC name of 3-(piperazin-1-ylmethyl)-1H-pyrazin-2-one (CID 82505250) is 3-(piperazin-1-ylmethyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(piperazin-1-ylmethyl)-1H-pyrazin-2-one is O=c1[nH]ccnc1CN1CCNCC1.
What is the InChIKey of 3-(piperazin-1-ylmethyl)-1H-pyrazin-2-one?
The InChIKey is BLQWDXDMKSYZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9-8(11-1-2-12-9)7-13-5-3-10-4-6-13/h1-2,10H,3-7H2,(H,12,14).
What are the key properties of 3-(piperazin-1-ylmethyl)-1H-pyrazin-2-one?
3-(piperazin-1-ylmethyl)-1H-pyrazin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)-1H-pyrazin-2-one is sourced from PubChem (CID 82505250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).