2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine

C7H14N6 — CID 21816

IUPAC2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(N)nc(NCC)n1
InChIInChI=1S/C7H14N6/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H4,8,9,10,11,12,13)
InChIKeyJGFFIQSOYIZEHY-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.32
Rot. Bonds4

About 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine

2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 21816) has the molecular formula C7H14N6 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID21816
Molecular FormulaC7H14N6
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(N)nc(NCC)n1
InChIInChI=1S/C7H14N6/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H4,8,9,10,11,12,13)
InChIKeyJGFFIQSOYIZEHY-UHFFFAOYSA-N
XLogP0.32
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine (CID 21816) is 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(N)nc(NCC)n1.
What is the InChIKey of 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JGFFIQSOYIZEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H4,8,9,10,11,12,13).
What are the key properties of 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 182.23 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 21816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).