1-[[5-(1,2,4-triazol-4-yl)thiophen-2-yl]methyl]piperazine

C11H15N5S — CID 82511741

IUPAC1-[[5-(1,2,4-triazol-4-yl)thiophen-2-yl]methyl]piperazine
SMILESc1cc(-n2cnnc2)sc1CN1CCNCC1
InChIInChI=1S/C11H15N5S/c1-2-11(16-8-13-14-9-16)17-10(1)7-15-5-3-12-4-6-15/h1-2,8-9,12H,3-7H2
InChIKeySFXJTCCKKITRAB-UHFFFAOYSA-N
MW249.34 g/mol
LogP0.73
Rot. Bonds3

About 1-[[5-(1,2,4-triazol-4-yl)thiophen-2-yl]methyl]piperazine

1-[[5-(1,2,4-triazol-4-yl)thiophen-2-yl]methyl]piperazine (PubChem CID 82511741) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-[[5-(1,2,4-triazol-4-yl)thiophen-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[5-(1,2,4-triazol-4-yl)thiophen-2-yl]methyl]piperazine
PubChem CID82511741
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name1-[[5-(1,2,4-triazol-4-yl)thiophen-2-yl]methyl]piperazine
SMILESc1cc(-n2cnnc2)sc1CN1CCNCC1
InChIInChI=1S/C11H15N5S/c1-2-11(16-8-13-14-9-16)17-10(1)7-15-5-3-12-4-6-15/h1-2,8-9,12H,3-7H2
InChIKeySFXJTCCKKITRAB-UHFFFAOYSA-N
XLogP0.73
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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5-(piperazin-1-ylmethyl)thiadiazole
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1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride
CID 120833629
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CID 80745758
2-[2-(azepan-1-yl)ethyl]-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 82191395
2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 82191023
2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
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CID 117183148
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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1,2,4-triazol-4-yl)thiophen-2-yl]methyl]piperazine?
The IUPAC name of 1-[[5-(1,2,4-triazol-4-yl)thiophen-2-yl]methyl]piperazine (CID 82511741) is 1-[[5-(1,2,4-triazol-4-yl)thiophen-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[[5-(1,2,4-triazol-4-yl)thiophen-2-yl]methyl]piperazine?
The canonical SMILES for 1-[[5-(1,2,4-triazol-4-yl)thiophen-2-yl]methyl]piperazine is c1cc(-n2cnnc2)sc1CN1CCNCC1.
What is the InChIKey of 1-[[5-(1,2,4-triazol-4-yl)thiophen-2-yl]methyl]piperazine?
The InChIKey is SFXJTCCKKITRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-2-11(16-8-13-14-9-16)17-10(1)7-15-5-3-12-4-6-15/h1-2,8-9,12H,3-7H2.
What are the key properties of 1-[[5-(1,2,4-triazol-4-yl)thiophen-2-yl]methyl]piperazine?
1-[[5-(1,2,4-triazol-4-yl)thiophen-2-yl]methyl]piperazine has a molecular weight of 249.34 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1,2,4-triazol-4-yl)thiophen-2-yl]methyl]piperazine is sourced from PubChem (CID 82511741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).