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

C9H17N5 — CID 130591920

IUPAC(2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine
SMILESC[C@@H]1CNCCN1Cc1cnn(C)n1
InChIInChI=1S/C9H17N5/c1-8-5-10-3-4-14(8)7-9-6-11-13(2)12-9/h6,8,10H,3-5,7H2,1-2H3/t8-/m1/s1
InChIKeyATNYGBXQPDKBOB-MRVPVSSYSA-N
MW195.27 g/mol
LogP-0.39
Rot. Bonds2

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

(2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine (PubChem CID 130591920) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is (2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name(2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine
PubChem CID130591920
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name(2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine
SMILESC[C@@H]1CNCCN1Cc1cnn(C)n1
InChIInChI=1S/C9H17N5/c1-8-5-10-3-4-14(8)7-9-6-11-13(2)12-9/h6,8,10H,3-5,7H2,1-2H3/t8-/m1/s1
InChIKeyATNYGBXQPDKBOB-MRVPVSSYSA-N
XLogP-0.39
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 104869459
(2R)-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 67972243
(2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine
CID 82756307
3-[[(2R)-2-methylpiperazin-1-yl]methyl]pyridazine;hydrochloride
CID 171779742
3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride
CID 171779875
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine
CID 79255463
2-methyl-4-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 62673861
1-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrazole-4-carboxylic acid
CID 104891476
(2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine
CID 130569472
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole
CID 82713453
(2R)-1-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine
CID 82755426

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine?
The IUPAC name of (2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine (CID 130591920) is (2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine.
What is the SMILES notation for (2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine?
The canonical SMILES for (2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine is C[C@@H]1CNCCN1Cc1cnn(C)n1.
What is the InChIKey of (2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine?
The InChIKey is ATNYGBXQPDKBOB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17N5/c1-8-5-10-3-4-14(8)7-9-6-11-13(2)12-9/h6,8,10H,3-5,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine?
(2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine has a molecular weight of 195.27 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine is sourced from PubChem (CID 130591920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).