4-(4-methylpiperazin-1-yl)-6-pyridin-4-yl-1,3,5-triazin-2-amine

C13H17N7 — CID 121238071

IUPAC4-(4-methylpiperazin-1-yl)-6-pyridin-4-yl-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-c3ccncc3)n2)CC1
InChIInChI=1S/C13H17N7/c1-19-6-8-20(9-7-19)13-17-11(16-12(14)18-13)10-2-4-15-5-3-10/h2-5H,6-9H2,1H3,(H2,14,16,17,18)
InChIKeyGBNBXYQUXOTKEI-UHFFFAOYSA-N
MW271.33 g/mol
LogP0.27
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-6-pyridin-4-yl-1,3,5-triazin-2-amine

4-(4-methylpiperazin-1-yl)-6-pyridin-4-yl-1,3,5-triazin-2-amine (PubChem CID 121238071) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-pyridin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-pyridin-4-yl-1,3,5-triazin-2-amine
PubChem CID121238071
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name4-(4-methylpiperazin-1-yl)-6-pyridin-4-yl-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-c3ccncc3)n2)CC1
InChIInChI=1S/C13H17N7/c1-19-6-8-20(9-7-19)13-17-11(16-12(14)18-13)10-2-4-15-5-3-10/h2-5H,6-9H2,1H3,(H2,14,16,17,18)
InChIKeyGBNBXYQUXOTKEI-UHFFFAOYSA-N
XLogP0.27
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-methylpiperazin-1-yl)-6-pyridin-4-yl-1,3,5-triazin-2-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 4-(4-methylpiperazin-1-yl)-6-pyridin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-pyridin-4-yl-1,3,5-triazin-2-amine (CID 121238071) is 4-(4-methylpiperazin-1-yl)-6-pyridin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-pyridin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-pyridin-4-yl-1,3,5-triazin-2-amine is CN1CCN(c2nc(N)nc(-c3ccncc3)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-pyridin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is GBNBXYQUXOTKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-19-6-8-20(9-7-19)13-17-11(16-12(14)18-13)10-2-4-15-5-3-10/h2-5H,6-9H2,1H3,(H2,14,16,17,18).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-pyridin-4-yl-1,3,5-triazin-2-amine?
4-(4-methylpiperazin-1-yl)-6-pyridin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 271.33 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-pyridin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 121238071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).