5-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1H-pyrazin-2-one

C13H15ClN4OS — CID 166385574

IUPAC5-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]cc(Cl)nc1N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C13H15ClN4OS/c14-11-8-15-13(19)12(16-11)18-5-3-17(4-6-18)9-10-2-1-7-20-10/h1-2,7-8H,3-6,9H2,(H,15,19)
InChIKeyKRDMGMODXJLLSB-UHFFFAOYSA-N
MW310.81 g/mol
LogP1.81
Rot. Bonds3

About 5-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1H-pyrazin-2-one

5-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1H-pyrazin-2-one (PubChem CID 166385574) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 5-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1H-pyrazin-2-one
PubChem CID166385574
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name5-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]cc(Cl)nc1N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C13H15ClN4OS/c14-11-8-15-13(19)12(16-11)18-5-3-17(4-6-18)9-10-2-1-7-20-10/h1-2,7-8H,3-6,9H2,(H,15,19)
InChIKeyKRDMGMODXJLLSB-UHFFFAOYSA-N
XLogP1.81
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(thiophen-2-ylmethyl)piperidin-4-one
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1-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]isoquinoline
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1-(thiophen-2-ylmethyl)piperazine
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CID 55377922
4-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
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4-(thiophen-2-ylmethyl)thiomorpholine
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4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
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4-bromo-2-methyl-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazin-3-one
CID 133302980
5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine
CID 21101327
1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one
CID 56813780

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 5-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1H-pyrazin-2-one (CID 166385574) is 5-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 5-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1H-pyrazin-2-one is O=c1[nH]cc(Cl)nc1N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 5-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1H-pyrazin-2-one?
The InChIKey is KRDMGMODXJLLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c14-11-8-15-13(19)12(16-11)18-5-3-17(4-6-18)9-10-2-1-7-20-10/h1-2,7-8H,3-6,9H2,(H,15,19).
What are the key properties of 5-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1H-pyrazin-2-one?
5-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1H-pyrazin-2-one has a molecular weight of 310.81 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 166385574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).