1-[(1-methyltriazol-4-yl)methyl]piperazine

C8H15N5 — CID 65215067

IUPAC1-[(1-methyltriazol-4-yl)methyl]piperazine
SMILESCn1cc(CN2CCNCC2)nn1
InChIInChI=1S/C8H15N5/c1-12-6-8(10-11-12)7-13-4-2-9-3-5-13/h6,9H,2-5,7H2,1H3
InChIKeyMLFRJOIAYJUNAZ-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.78
Rot. Bonds2

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

1-[(1-methyltriazol-4-yl)methyl]piperazine (PubChem CID 65215067) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-[(1-methyltriazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1-methyltriazol-4-yl)methyl]piperazine
PubChem CID65215067
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name1-[(1-methyltriazol-4-yl)methyl]piperazine
SMILESCn1cc(CN2CCNCC2)nn1
InChIInChI=1S/C8H15N5/c1-12-6-8(10-11-12)7-13-4-2-9-3-5-13/h6,9H,2-5,7H2,1H3
InChIKeyMLFRJOIAYJUNAZ-UHFFFAOYSA-N
XLogP-0.78
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(1-methyltriazol-4-yl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885719
(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885940
4-[(1-methyltriazol-4-yl)methyl]morpholine
CID 130163626
7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
CID 107056261
(2R)-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 104869459
2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907965
3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
CID 107056206
1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperazine
CID 117167709
4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole
CID 131101712
4-bromo-1-[(1-methyltriazol-4-yl)methyl]azepane
CID 130678061
2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol
CID 154737420
3-methyl-6-(piperazin-1-ylmethyl)pyridazine
CID 82604790

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyltriazol-4-yl)methyl]piperazine?
The IUPAC name of 1-[(1-methyltriazol-4-yl)methyl]piperazine (CID 65215067) is 1-[(1-methyltriazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(1-methyltriazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(1-methyltriazol-4-yl)methyl]piperazine is Cn1cc(CN2CCNCC2)nn1.
What is the InChIKey of 1-[(1-methyltriazol-4-yl)methyl]piperazine?
The InChIKey is MLFRJOIAYJUNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-12-6-8(10-11-12)7-13-4-2-9-3-5-13/h6,9H,2-5,7H2,1H3.
What are the key properties of 1-[(1-methyltriazol-4-yl)methyl]piperazine?
1-[(1-methyltriazol-4-yl)methyl]piperazine has a molecular weight of 181.24 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyltriazol-4-yl)methyl]piperazine is sourced from PubChem (CID 65215067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).