3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine

C13H18N6 — CID 102798267

IUPAC3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCC1CN(c2n[nH]c(Cc3cccnc3)n2)CCN1
InChIInChI=1S/C13H18N6/c1-10-9-19(6-5-15-10)13-16-12(17-18-13)7-11-3-2-4-14-8-11/h2-4,8,10,15H,5-7,9H2,1H3,(H,16,17,18)
InChIKeyUZYCPLQPHHTGGY-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.59
Rot. Bonds3

About 3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine

3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 102798267) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID102798267
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCC1CN(c2n[nH]c(Cc3cccnc3)n2)CCN1
InChIInChI=1S/C13H18N6/c1-10-9-19(6-5-15-10)13-16-12(17-18-13)7-11-3-2-4-14-8-11/h2-4,8,10,15H,5-7,9H2,1H3,(H,16,17,18)
InChIKeyUZYCPLQPHHTGGY-UHFFFAOYSA-N
XLogP0.59
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine 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 3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine (CID 102798267) is 3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine is CC1CN(c2n[nH]c(Cc3cccnc3)n2)CCN1.
What is the InChIKey of 3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is UZYCPLQPHHTGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-10-9-19(6-5-15-10)13-16-12(17-18-13)7-11-3-2-4-14-8-11/h2-4,8,10,15H,5-7,9H2,1H3,(H,16,17,18).
What are the key properties of 3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine?
3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 258.33 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 102798267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).