3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine

C13H19N5O — CID 102797402

IUPAC3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCc1ccoc1-c1nc(N2CC(C)NC(C)C2)n[nH]1
InChIInChI=1S/C13H19N5O/c1-8-4-5-19-11(8)12-15-13(17-16-12)18-6-9(2)14-10(3)7-18/h4-5,9-10,14H,6-7H2,1-3H3,(H,15,16,17)
InChIKeyUSEFPFINQWXJCR-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.56
Rot. Bonds2

About 3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine

3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 102797402) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID102797402
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCc1ccoc1-c1nc(N2CC(C)NC(C)C2)n[nH]1
InChIInChI=1S/C13H19N5O/c1-8-4-5-19-11(8)12-15-13(17-16-12)18-6-9(2)14-10(3)7-18/h4-5,9-10,14H,6-7H2,1-3H3,(H,15,16,17)
InChIKeyUSEFPFINQWXJCR-UHFFFAOYSA-N
XLogP1.56
TPSA69.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799956
3,5-dimethyl-1-[5-(3-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797254
4-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-methylphenol
CID 136750843
1-[5-(3-chloro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797405
1-[5-(5-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797309
2-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-fluorophenol
CID 136678095
1-[5-(2-bromo-5-methylphenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797316
1-[5-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797310
3,5-dimethyl-1-[5-(2-methylsulfanylphenyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797359
5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole
CID 136836456
3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797455
4-methyl-5-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]-1,3-oxazole
CID 102797978

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine (CID 102797402) is 3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine is Cc1ccoc1-c1nc(N2CC(C)NC(C)C2)n[nH]1.
What is the InChIKey of 3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is USEFPFINQWXJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8-4-5-19-11(8)12-15-13(17-16-12)18-6-9(2)14-10(3)7-18/h4-5,9-10,14H,6-7H2,1-3H3,(H,15,16,17).
What are the key properties of 3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine?
3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 261.33 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 102797402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).