(3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine

C10H19N5 — CID 104975402

IUPAC(3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine
SMILESCc1nnc(CN2CCN[C@H](C)C2)n1C
InChIInChI=1S/C10H19N5/c1-8-6-15(5-4-11-8)7-10-13-12-9(2)14(10)3/h8,11H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyRUWFLICWPJOJSE-MRVPVSSYSA-N
MW209.30 g/mol
LogP-0.08
Rot. Bonds2

About (3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine

(3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine (PubChem CID 104975402) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is (3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine
PubChem CID104975402
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name(3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine
SMILESCc1nnc(CN2CCN[C@H](C)C2)n1C
InChIInChI=1S/C10H19N5/c1-8-6-15(5-4-11-8)7-10-13-12-9(2)14(10)3/h8,11H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyRUWFLICWPJOJSE-MRVPVSSYSA-N
XLogP-0.08
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine (CID 104975402) is (3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine is Cc1nnc(CN2CCN[C@H](C)C2)n1C.
What is the InChIKey of (3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine?
The InChIKey is RUWFLICWPJOJSE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19N5/c1-8-6-15(5-4-11-8)7-10-13-12-9(2)14(10)3/h8,11H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine?
(3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine has a molecular weight of 209.30 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine is sourced from PubChem (CID 104975402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).