3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride

C7H13ClN4O — CID 75530610

IUPAC3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride
SMILESCc1nonc1N1CCNCC1.Cl
InChIInChI=1S/C7H12N4O.ClH/c1-6-7(10-12-9-6)11-4-2-8-3-5-11;/h8H,2-5H2,1H3;1H
InChIKeyFJTAGGCEUHTDGA-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.21
Rot. Bonds1

About 3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride

3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride (PubChem CID 75530610) has the molecular formula C7H13ClN4O and a molecular weight of 204.66 g/mol. Its IUPAC name is 3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride
PubChem CID75530610
Molecular FormulaC7H13ClN4O
Molecular Weight204.66 g/mol
Exact Mass204.08
IUPAC Name3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride
SMILESCc1nonc1N1CCNCC1.Cl
InChIInChI=1S/C7H12N4O.ClH/c1-6-7(10-12-9-6)11-4-2-8-3-5-11;/h8H,2-5H2,1H3;1H
InChIKeyFJTAGGCEUHTDGA-UHFFFAOYSA-N
XLogP0.21
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-4-piperazin-1-yl-1,2,5-oxadiazole
CID 59511284
4-methyl-6-piperazin-1-ylpyrimidin-5-amine
CID 163648799
4,5-dimethyl-3-piperazin-1-yl-1,2-thiazole
CID 96759338
5-methyl-4-piperazin-1-yl-1,3-oxazole
CID 96737858
5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine
CID 80983579
6-methyl-5-piperazin-1-yl-1,2,4-triazine
CID 116823260
4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]pyridin-3-amine
CID 90372714
1-(2-methyl-3-pyridinyl)piperazine;dihydrochloride
CID 70057644
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine
CID 83850463
7-methyl-4-piperazin-1-ylfuro[3,2-c]pyridine
CID 67125813
5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 69036653

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride?
The IUPAC name of 3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride (CID 75530610) is 3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride.
What is the SMILES notation for 3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride?
The canonical SMILES for 3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride is Cc1nonc1N1CCNCC1.Cl.
What is the InChIKey of 3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride?
The InChIKey is FJTAGGCEUHTDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.ClH/c1-6-7(10-12-9-6)11-4-2-8-3-5-11;/h8H,2-5H2,1H3;1H.
What are the key properties of 3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride?
3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride is sourced from PubChem (CID 75530610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).