5,6-dimethyl-3-piperazin-1-yl-1,2,4-triazine

C9H15N5 — CID 28913770

IUPAC5,6-dimethyl-3-piperazin-1-yl-1,2,4-triazine
SMILESCc1nnc(N2CCNCC2)nc1C
InChIInChI=1S/C9H15N5/c1-7-8(2)12-13-9(11-7)14-5-3-10-4-6-14/h10H,3-6H2,1-2H3
InChIKeyAFAPBNUMLPBJGJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.10
Rot. Bonds1

About 5,6-dimethyl-3-piperazin-1-yl-1,2,4-triazine

5,6-dimethyl-3-piperazin-1-yl-1,2,4-triazine (PubChem CID 28913770) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5,6-dimethyl-3-piperazin-1-yl-1,2,4-triazine.

Molecular Properties

Compound Name5,6-dimethyl-3-piperazin-1-yl-1,2,4-triazine
PubChem CID28913770
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name5,6-dimethyl-3-piperazin-1-yl-1,2,4-triazine
SMILESCc1nnc(N2CCNCC2)nc1C
InChIInChI=1S/C9H15N5/c1-7-8(2)12-13-9(11-7)14-5-3-10-4-6-14/h10H,3-6H2,1-2H3
InChIKeyAFAPBNUMLPBJGJ-UHFFFAOYSA-N
XLogP-0.10
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6-dimethyl-3-piperazin-1-yl-1,2,4-triazine 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 5,6-dimethyl-3-piperazin-1-yl-1,2,4-triazine?
The IUPAC name of 5,6-dimethyl-3-piperazin-1-yl-1,2,4-triazine (CID 28913770) is 5,6-dimethyl-3-piperazin-1-yl-1,2,4-triazine.
What is the SMILES notation for 5,6-dimethyl-3-piperazin-1-yl-1,2,4-triazine?
The canonical SMILES for 5,6-dimethyl-3-piperazin-1-yl-1,2,4-triazine is Cc1nnc(N2CCNCC2)nc1C.
What is the InChIKey of 5,6-dimethyl-3-piperazin-1-yl-1,2,4-triazine?
The InChIKey is AFAPBNUMLPBJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-7-8(2)12-13-9(11-7)14-5-3-10-4-6-14/h10H,3-6H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-piperazin-1-yl-1,2,4-triazine?
5,6-dimethyl-3-piperazin-1-yl-1,2,4-triazine has a molecular weight of 193.25 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-piperazin-1-yl-1,2,4-triazine is sourced from PubChem (CID 28913770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).