3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-1H-pyrazin-2-one

C13H15ClN4O2 — CID 77082399

IUPAC3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCN(Cc2ccc(Cl)o2)CC1
InChIInChI=1S/C13H15ClN4O2/c14-11-2-1-10(20-11)9-17-5-7-18(8-6-17)12-13(19)16-4-3-15-12/h1-4H,5-9H2,(H,16,19)
InChIKeySLQVPYYRFIKJOS-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.34
Rot. Bonds3

About 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-1H-pyrazin-2-one

3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-1H-pyrazin-2-one (PubChem CID 77082399) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-1H-pyrazin-2-one
PubChem CID77082399
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCN(Cc2ccc(Cl)o2)CC1
InChIInChI=1S/C13H15ClN4O2/c14-11-2-1-10(20-11)9-17-5-7-18(8-6-17)12-13(19)16-4-3-15-12/h1-4H,5-9H2,(H,16,19)
InChIKeySLQVPYYRFIKJOS-UHFFFAOYSA-N
XLogP1.34
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-1H-pyrazin-2-one (CID 77082399) is 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-1H-pyrazin-2-one is O=c1[nH]ccnc1N1CCN(Cc2ccc(Cl)o2)CC1.
What is the InChIKey of 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-1H-pyrazin-2-one?
The InChIKey is SLQVPYYRFIKJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c14-11-2-1-10(20-11)9-17-5-7-18(8-6-17)12-13(19)16-4-3-15-12/h1-4H,5-9H2,(H,16,19).
What are the key properties of 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-1H-pyrazin-2-one?
3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-1H-pyrazin-2-one has a molecular weight of 294.74 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 77082399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).