(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine

C9H17N5 — CID 103885940

IUPAC(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
SMILESC[C@@H]1CN(Cc2cn(C)nn2)CCN1
InChIInChI=1S/C9H17N5/c1-8-5-14(4-3-10-8)7-9-6-13(2)12-11-9/h6,8,10H,3-5,7H2,1-2H3/t8-/m1/s1
InChIKeyUXUHLOPBSKDMKT-MRVPVSSYSA-N
MW195.27 g/mol
LogP-0.39
Rot. Bonds2

About (3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine

(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine (PubChem CID 103885940) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is (3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
PubChem CID103885940
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
SMILESC[C@@H]1CN(Cc2cn(C)nn2)CCN1
InChIInChI=1S/C9H17N5/c1-8-5-14(4-3-10-8)7-9-6-13(2)12-11-9/h6,8,10H,3-5,7H2,1-2H3/t8-/m1/s1
InChIKeyUXUHLOPBSKDMKT-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

(3S)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885719
3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
CID 107056206
(3S)-1-[(1-tert-butyltriazol-4-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120845822
3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine
CID 119924639
1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 65215067
(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 103885638
3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
CID 97163264
(3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine
CID 103885858
2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055406
4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole
CID 131101712
(2R)-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 104869459
4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 131160294

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The IUPAC name of (3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine (CID 103885940) is (3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine.
What is the SMILES notation for (3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The canonical SMILES for (3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine is C[C@@H]1CN(Cc2cn(C)nn2)CCN1.
What is the InChIKey of (3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The InChIKey is UXUHLOPBSKDMKT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17N5/c1-8-5-14(4-3-10-8)7-9-6-13(2)12-11-9/h6,8,10H,3-5,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
(3R)-3-methyl-1-[(1-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 (3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine is sourced from PubChem (CID 103885940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).