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

C11H21N5 — CID 107055600

IUPAC5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
SMILESCCC1CN(Cc2cn(C)nn2)C(C)CN1
InChIInChI=1S/C11H21N5/c1-4-10-7-16(9(2)5-12-10)8-11-6-15(3)14-13-11/h6,9-10,12H,4-5,7-8H2,1-3H3
InChIKeyNXPIPJKQIQSSMO-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.39
Rot. Bonds3

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

5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine (PubChem CID 107055600) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
PubChem CID107055600
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
SMILESCCC1CN(Cc2cn(C)nn2)C(C)CN1
InChIInChI=1S/C11H21N5/c1-4-10-7-16(9(2)5-12-10)8-11-6-15(3)14-13-11/h6,9-10,12H,4-5,7-8H2,1-3H3
InChIKeyNXPIPJKQIQSSMO-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

5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055753
2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055406
(2R)-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 104869459
3-tert-butyl-7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
CID 107056275
2-[(5-ethyl-2-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64841330
5-ethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine
CID 64841716
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
5-ethyl-2-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 64940428
4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 107045290
1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine
CID 64840935

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The IUPAC name of 5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine (CID 107055600) is 5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine.
What is the SMILES notation for 5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The canonical SMILES for 5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine is CCC1CN(Cc2cn(C)nn2)C(C)CN1.
What is the InChIKey of 5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The InChIKey is NXPIPJKQIQSSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-4-10-7-16(9(2)5-12-10)8-11-6-15(3)14-13-11/h6,9-10,12H,4-5,7-8H2,1-3H3.
What are the key properties of 5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
5-ethyl-2-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 5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine is sourced from PubChem (CID 107055600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).