3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine

C7H14N6 — CID 13267631

IUPAC3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCN1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C7H14N6/c1-12-2-4-13(5-3-12)7-9-6(8)10-11-7/h2-5H2,1H3,(H3,8,9,10,11)
InChIKeyOGKMRAGLDFHRGA-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.86
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine

3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 13267631) has the molecular formula C7H14N6 and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
PubChem CID13267631
Molecular FormulaC7H14N6
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCN1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C7H14N6/c1-12-2-4-13(5-3-12)7-9-6(8)10-11-7/h2-5H2,1H3,(H3,8,9,10,11)
InChIKeyOGKMRAGLDFHRGA-UHFFFAOYSA-N
XLogP-0.86
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine 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-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine (CID 13267631) is 3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine is CN1CCN(c2n[nH]c(N)n2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is OGKMRAGLDFHRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6/c1-12-2-4-13(5-3-12)7-9-6(8)10-11-7/h2-5H2,1H3,(H3,8,9,10,11).
What are the key properties of 3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 182.23 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 13267631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).