1-ethyl-5-piperazin-1-ylbenzotriazole

C12H17N5 — CID 84726445

IUPAC1-ethyl-5-piperazin-1-ylbenzotriazole
SMILESCCn1nnc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C12H17N5/c1-2-17-12-4-3-10(9-11(12)14-15-17)16-7-5-13-6-8-16/h3-4,9,13H,2,5-8H2,1H3
InChIKeyBQMFSRXOJNVGPK-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.86
Rot. Bonds2

About 1-ethyl-5-piperazin-1-ylbenzotriazole

1-ethyl-5-piperazin-1-ylbenzotriazole (PubChem CID 84726445) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-ethyl-5-piperazin-1-ylbenzotriazole.

Molecular Properties

Compound Name1-ethyl-5-piperazin-1-ylbenzotriazole
PubChem CID84726445
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-ethyl-5-piperazin-1-ylbenzotriazole
SMILESCCn1nnc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C12H17N5/c1-2-17-12-4-3-10(9-11(12)14-15-17)16-7-5-13-6-8-16/h3-4,9,13H,2,5-8H2,1H3
InChIKeyBQMFSRXOJNVGPK-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

2-(5-piperazin-1-ylbenzotriazol-1-yl)acetonitrile
CID 117099581
1-[(3-fluorophenyl)methyl]-5-piperazin-1-ylbenzotriazole
CID 117099598
1-ethyl-4-piperazin-1-ylbenzotriazole
CID 84726444
1-ethyl-7-piperazin-1-ylbenzotriazole
CID 84726447
3-ethyl-6-piperazin-1-yl-2H-indazole
CID 59781257
1-(1-butylbenzotriazol-5-yl)piperidine-4-carboxylic acid
CID 117099457
2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole
CID 82232894
[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 38387818
2-methyl-6-piperazin-1-ylquinoxaline
CID 117275288
2-ethyl-5-piperazin-1-ylisoindole-1,3-dione
CID 117006287
(1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60958042
1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzotriazole-5-carboxamide
CID 30900310

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-piperazin-1-ylbenzotriazole?
The IUPAC name of 1-ethyl-5-piperazin-1-ylbenzotriazole (CID 84726445) is 1-ethyl-5-piperazin-1-ylbenzotriazole.
What is the SMILES notation for 1-ethyl-5-piperazin-1-ylbenzotriazole?
The canonical SMILES for 1-ethyl-5-piperazin-1-ylbenzotriazole is CCn1nnc2cc(N3CCNCC3)ccc21.
What is the InChIKey of 1-ethyl-5-piperazin-1-ylbenzotriazole?
The InChIKey is BQMFSRXOJNVGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-17-12-4-3-10(9-11(12)14-15-17)16-7-5-13-6-8-16/h3-4,9,13H,2,5-8H2,1H3.
What are the key properties of 1-ethyl-5-piperazin-1-ylbenzotriazole?
1-ethyl-5-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-5-piperazin-1-ylbenzotriazole is sourced from PubChem (CID 84726445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).