2-N,7-N-diethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,5,7-triamine

C8H14N8 — CID 11053238

IUPAC2-N,7-N-diethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,5,7-triamine
SMILESCCNc1nc2nc(N)nc(NCC)n2n1
InChIInChI=1S/C8H14N8/c1-3-10-6-14-8-13-5(9)12-7(11-4-2)16(8)15-6/h3-4H2,1-2H3,(H4,9,10,11,12,13,14,15)
InChIKeyPQNIJRVGYUGLKG-UHFFFAOYSA-N
MW222.26 g/mol
LogP-0.03
Rot. Bonds4

About 2-N,7-N-diethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,5,7-triamine

2-N,7-N-diethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,5,7-triamine (PubChem CID 11053238) has the molecular formula C8H14N8 and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-N,7-N-diethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,5,7-triamine.

Molecular Properties

Compound Name2-N,7-N-diethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,5,7-triamine
PubChem CID11053238
Molecular FormulaC8H14N8
Molecular Weight222.26 g/mol
Exact Mass222.13
IUPAC Name2-N,7-N-diethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,5,7-triamine
SMILESCCNc1nc2nc(N)nc(NCC)n2n1
InChIInChI=1S/C8H14N8/c1-3-10-6-14-8-13-5(9)12-7(11-4-2)16(8)15-6/h3-4H2,1-2H3,(H4,9,10,11,12,13,14,15)
InChIKeyPQNIJRVGYUGLKG-UHFFFAOYSA-N
XLogP-0.03
TPSA106.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-diethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,5,7-triamine?
The IUPAC name of 2-N,7-N-diethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,5,7-triamine (CID 11053238) is 2-N,7-N-diethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,5,7-triamine.
What is the SMILES notation for 2-N,7-N-diethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,5,7-triamine?
The canonical SMILES for 2-N,7-N-diethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,5,7-triamine is CCNc1nc2nc(N)nc(NCC)n2n1.
What is the InChIKey of 2-N,7-N-diethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,5,7-triamine?
The InChIKey is PQNIJRVGYUGLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N8/c1-3-10-6-14-8-13-5(9)12-7(11-4-2)16(8)15-6/h3-4H2,1-2H3,(H4,9,10,11,12,13,14,15).
What are the key properties of 2-N,7-N-diethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,5,7-triamine?
2-N,7-N-diethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,5,7-triamine has a molecular weight of 222.26 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-diethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,5,7-triamine is sourced from PubChem (CID 11053238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).