3-(5,6-diethyl-1,2,4-triazin-3-yl)-5,6-diethyl-1,2,4-triazine

C14H20N6 — CID 71330950

IUPAC3-(5,6-diethyl-1,2,4-triazin-3-yl)-5,6-diethyl-1,2,4-triazine
SMILESCCc1nnc(-c2nnc(CC)c(CC)n2)nc1CC
InChIInChI=1S/C14H20N6/c1-5-9-11(7-3)17-19-13(15-9)14-16-10(6-2)12(8-4)18-20-14/h5-8H2,1-4H3
InChIKeyIZPIZGIRFBNFJT-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.97
Rot. Bonds5

About 3-(5,6-diethyl-1,2,4-triazin-3-yl)-5,6-diethyl-1,2,4-triazine

3-(5,6-diethyl-1,2,4-triazin-3-yl)-5,6-diethyl-1,2,4-triazine (PubChem CID 71330950) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 3-(5,6-diethyl-1,2,4-triazin-3-yl)-5,6-diethyl-1,2,4-triazine.

Molecular Properties

Compound Name3-(5,6-diethyl-1,2,4-triazin-3-yl)-5,6-diethyl-1,2,4-triazine
PubChem CID71330950
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name3-(5,6-diethyl-1,2,4-triazin-3-yl)-5,6-diethyl-1,2,4-triazine
SMILESCCc1nnc(-c2nnc(CC)c(CC)n2)nc1CC
InChIInChI=1S/C14H20N6/c1-5-9-11(7-3)17-19-13(15-9)14-16-10(6-2)12(8-4)18-20-14/h5-8H2,1-4H3
InChIKeyIZPIZGIRFBNFJT-UHFFFAOYSA-N
XLogP1.97
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-diethyl-1,2,4-triazin-3-yl)-5,6-diethyl-1,2,4-triazine?
The IUPAC name of 3-(5,6-diethyl-1,2,4-triazin-3-yl)-5,6-diethyl-1,2,4-triazine (CID 71330950) is 3-(5,6-diethyl-1,2,4-triazin-3-yl)-5,6-diethyl-1,2,4-triazine.
What is the SMILES notation for 3-(5,6-diethyl-1,2,4-triazin-3-yl)-5,6-diethyl-1,2,4-triazine?
The canonical SMILES for 3-(5,6-diethyl-1,2,4-triazin-3-yl)-5,6-diethyl-1,2,4-triazine is CCc1nnc(-c2nnc(CC)c(CC)n2)nc1CC.
What is the InChIKey of 3-(5,6-diethyl-1,2,4-triazin-3-yl)-5,6-diethyl-1,2,4-triazine?
The InChIKey is IZPIZGIRFBNFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-5-9-11(7-3)17-19-13(15-9)14-16-10(6-2)12(8-4)18-20-14/h5-8H2,1-4H3.
What are the key properties of 3-(5,6-diethyl-1,2,4-triazin-3-yl)-5,6-diethyl-1,2,4-triazine?
3-(5,6-diethyl-1,2,4-triazin-3-yl)-5,6-diethyl-1,2,4-triazine has a molecular weight of 272.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-diethyl-1,2,4-triazin-3-yl)-5,6-diethyl-1,2,4-triazine is sourced from PubChem (CID 71330950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).