1-ethyl-7-piperazin-1-ylbenzotriazole

C12H17N5 — CID 84726447

IUPAC1-ethyl-7-piperazin-1-ylbenzotriazole
SMILESCCn1nnc2cccc(N3CCNCC3)c21
InChIInChI=1S/C12H17N5/c1-2-17-12-10(14-15-17)4-3-5-11(12)16-8-6-13-7-9-16/h3-5,13H,2,6-9H2,1H3
InChIKeyBZXPIQISOIDTLQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.86
Rot. Bonds2

About 1-ethyl-7-piperazin-1-ylbenzotriazole

1-ethyl-7-piperazin-1-ylbenzotriazole (PubChem CID 84726447) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-ethyl-7-piperazin-1-ylbenzotriazole.

Molecular Properties

Compound Name1-ethyl-7-piperazin-1-ylbenzotriazole
PubChem CID84726447
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-ethyl-7-piperazin-1-ylbenzotriazole
SMILESCCn1nnc2cccc(N3CCNCC3)c21
InChIInChI=1S/C12H17N5/c1-2-17-12-10(14-15-17)4-3-5-11(12)16-8-6-13-7-9-16/h3-5,13H,2,6-9H2,1H3
InChIKeyBZXPIQISOIDTLQ-UHFFFAOYSA-N
XLogP0.86
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-piperazin-1-ylbenzotriazole
CID 84726444
1-ethyl-5-piperazin-1-ylbenzotriazole
CID 84726445
5-piperazin-1-ylquinoline
CID 10656226
2-methyl-5-piperazin-1-ylquinazoline
CID 57444358
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
1,2,3,11-tetrazatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene
CID 175039772
3-fluoro-5-piperazin-1-ylquinoline
CID 21073301
4-piperazin-1-yl-1H-indazole;hydrochloride
CID 131699602
8-piperazin-1-ylisoquinoline
CID 21070960
4-piperazin-1-yl-1H-benzimidazole;trihydrobromide
CID 3069489
1-(2-ethyl-3-methoxyphenyl)piperazine
CID 143239355
2-methyl-4-piperazin-1-yl-1H-benzimidazole
CID 13180225

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-piperazin-1-ylbenzotriazole?
The IUPAC name of 1-ethyl-7-piperazin-1-ylbenzotriazole (CID 84726447) is 1-ethyl-7-piperazin-1-ylbenzotriazole.
What is the SMILES notation for 1-ethyl-7-piperazin-1-ylbenzotriazole?
The canonical SMILES for 1-ethyl-7-piperazin-1-ylbenzotriazole is CCn1nnc2cccc(N3CCNCC3)c21.
What is the InChIKey of 1-ethyl-7-piperazin-1-ylbenzotriazole?
The InChIKey is BZXPIQISOIDTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-17-12-10(14-15-17)4-3-5-11(12)16-8-6-13-7-9-16/h3-5,13H,2,6-9H2,1H3.
What are the key properties of 1-ethyl-7-piperazin-1-ylbenzotriazole?
1-ethyl-7-piperazin-1-ylbenzotriazole has a molecular weight of 231.30 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-piperazin-1-ylbenzotriazole is sourced from PubChem (CID 84726447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).