2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine

C11H21N5 — CID 107055406

IUPAC2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
SMILESCCC1CNC(C)CN1Cc1cn(C)nn1
InChIInChI=1S/C11H21N5/c1-4-11-5-12-9(2)6-16(11)8-10-7-15(3)14-13-10/h7,9,11-12H,4-6,8H2,1-3H3
InChIKeyFKEDUOZVGCPQFV-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.39
Rot. Bonds3

About 2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine

2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine (PubChem CID 107055406) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
PubChem CID107055406
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
SMILESCCC1CNC(C)CN1Cc1cn(C)nn1
InChIInChI=1S/C11H21N5/c1-4-11-5-12-9(2)6-16(11)8-10-7-15(3)14-13-10/h7,9,11-12H,4-6,8H2,1-3H3
InChIKeyFKEDUOZVGCPQFV-UHFFFAOYSA-N
XLogP0.39
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64844286
5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055600
5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055655
(3S)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885719
(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885940
2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine
CID 107055514
5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055788
3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
CID 107056206
2-ethyl-1-[(2-ethylphenyl)methyl]-5-methylpiperazine
CID 64936505
(2R)-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 104869459
2-ethyl-5-methyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 114957684
4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 107045290

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The IUPAC name of 2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine (CID 107055406) is 2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine.
What is the SMILES notation for 2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The canonical SMILES for 2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine is CCC1CNC(C)CN1Cc1cn(C)nn1.
What is the InChIKey of 2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The InChIKey is FKEDUOZVGCPQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-4-11-5-12-9(2)6-16(11)8-10-7-15(3)14-13-10/h7,9,11-12H,4-6,8H2,1-3H3.
What are the key properties of 2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine has a molecular weight of 223.32 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine is sourced from PubChem (CID 107055406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).