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

C10H12ClN5O — CID 106683927

IUPAC1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESClc1ccc(-c2nc(N3CCNCC3)n[nH]2)o1
InChIInChI=1S/C10H12ClN5O/c11-8-2-1-7(17-8)9-13-10(15-14-9)16-5-3-12-4-6-16/h1-2,12H,3-6H2,(H,13,14,15)
InChIKeyPMXNKMALPKZISJ-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.13
Rot. Bonds2

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

1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 106683927) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID106683927
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESClc1ccc(-c2nc(N3CCNCC3)n[nH]2)o1
InChIInChI=1S/C10H12ClN5O/c11-8-2-1-7(17-8)9-13-10(15-14-9)16-5-3-12-4-6-16/h1-2,12H,3-6H2,(H,13,14,15)
InChIKeyPMXNKMALPKZISJ-UHFFFAOYSA-N
XLogP1.13
TPSA69.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
CID 106683946
1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102792961
1-[5-(4-bromo-2-chlorophenyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102792664
1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 106683930
1-[5-(3,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-1,4-diazepane
CID 102796950
1-(5-pyridazin-4-yl-1H-1,2,4-triazol-3-yl)-1,4-diazepane
CID 102797043
5-(5-chlorofuran-2-yl)-3-phenyl-1H-1,2,4-triazole
CID 106688168
1-[5-(4-bromo-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102792751
1-[5-(1-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]-1,4-diazepane
CID 107971927
1-[5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-1,4-diazepane
CID 102797197
1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102792948
[1-[5-(5-ethylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800681

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine (CID 106683927) is 1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine is Clc1ccc(-c2nc(N3CCNCC3)n[nH]2)o1.
What is the InChIKey of 1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is PMXNKMALPKZISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c11-8-2-1-7(17-8)9-13-10(15-14-9)16-5-3-12-4-6-16/h1-2,12H,3-6H2,(H,13,14,15).
What are the key properties of 1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine?
1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 253.69 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 106683927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).