2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone

C16H20N8O — CID 70724671

IUPAC2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone
SMILESO=C(Cn1nc2ccccc2n1)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C16H20N8O/c25-16(11-24-19-14-3-1-2-4-15(14)20-24)22-8-5-21(6-9-22)7-10-23-13-17-12-18-23/h1-4,12-13H,5-11H2
InChIKeyGYAVVYZVZFEXIE-UHFFFAOYSA-N
MW340.39 g/mol
LogP-0.13
Rot. Bonds5

About 2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone

2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 70724671) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID70724671
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone
SMILESO=C(Cn1nc2ccccc2n1)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C16H20N8O/c25-16(11-24-19-14-3-1-2-4-15(14)20-24)22-8-5-21(6-9-22)7-10-23-13-17-12-18-23/h1-4,12-13H,5-11H2
InChIKeyGYAVVYZVZFEXIE-UHFFFAOYSA-N
XLogP-0.13
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-oxo-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propyl]-1H-quinoxalin-2-one
CID 72902475
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 96581047
(1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 56913867
N-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
CID 119072160
(3S)-1-phenyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 97285430
1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 122336760
3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]propanoic acid
CID 43522089
2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone
CID 83968777
1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70745575
1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 110899775
1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 126771965
(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 118778339

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone (CID 70724671) is 2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone is O=C(Cn1nc2ccccc2n1)N1CCN(CCn2cncn2)CC1.
What is the InChIKey of 2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is GYAVVYZVZFEXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c25-16(11-24-19-14-3-1-2-4-15(14)20-24)22-8-5-21(6-9-22)7-10-23-13-17-12-18-23/h1-4,12-13H,5-11H2.
What are the key properties of 2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone?
2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 340.39 g/mol, XLogP of -0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 70724671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).