3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-1,2,4-triazine

C12H16N6 — CID 121014856

IUPAC3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-1,2,4-triazine
SMILESCc1nnc(CCc2nnc(C)c(C)n2)nc1C
InChIInChI=1S/C12H16N6/c1-7-9(3)15-17-11(13-7)5-6-12-14-8(2)10(4)16-18-12/h5-6H2,1-4H3
InChIKeyHVMSBVUHVHUDKX-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.08
Rot. Bonds3

About 3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-1,2,4-triazine

3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-1,2,4-triazine (PubChem CID 121014856) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-1,2,4-triazine.

Molecular Properties

Compound Name3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-1,2,4-triazine
PubChem CID121014856
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-1,2,4-triazine
SMILESCc1nnc(CCc2nnc(C)c(C)n2)nc1C
InChIInChI=1S/C12H16N6/c1-7-9(3)15-17-11(13-7)5-6-12-14-8(2)10(4)16-18-12/h5-6H2,1-4H3
InChIKeyHVMSBVUHVHUDKX-UHFFFAOYSA-N
XLogP1.08
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-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 3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-1,2,4-triazine?
The IUPAC name of 3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-1,2,4-triazine (CID 121014856) is 3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-1,2,4-triazine.
What is the SMILES notation for 3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-1,2,4-triazine?
The canonical SMILES for 3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-1,2,4-triazine is Cc1nnc(CCc2nnc(C)c(C)n2)nc1C.
What is the InChIKey of 3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-1,2,4-triazine?
The InChIKey is HVMSBVUHVHUDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-7-9(3)15-17-11(13-7)5-6-12-14-8(2)10(4)16-18-12/h5-6H2,1-4H3.
What are the key properties of 3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-1,2,4-triazine?
3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-1,2,4-triazine has a molecular weight of 244.30 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-1,2,4-triazine is sourced from PubChem (CID 121014856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).