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

C15H26N6O — CID 91501774

IUPAC2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol
SMILESCC.CCNc1nc(N)nc(NCC)n1.Oc1ccccc1
InChIInChI=1S/C7H14N6.C6H6O.C2H6/c1-3-9-6-11-5(8)12-7(13-6)10-4-2;7-6-4-2-1-3-5-6;1-2/h3-4H2,1-2H3,(H4,8,9,10,11,12,13);1-5,7H;1-2H3
InChIKeyVGQHZYAWXYJTHG-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.74
Rot. Bonds4

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

2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol (PubChem CID 91501774) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol.

Molecular Properties

Compound Name2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol
PubChem CID91501774
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol
SMILESCC.CCNc1nc(N)nc(NCC)n1.Oc1ccccc1
InChIInChI=1S/C7H14N6.C6H6O.C2H6/c1-3-9-6-11-5(8)12-7(13-6)10-4-2;7-6-4-2-1-3-5-6;1-2/h3-4H2,1-2H3,(H4,8,9,10,11,12,13);1-5,7H;1-2H3
InChIKeyVGQHZYAWXYJTHG-UHFFFAOYSA-N
XLogP2.74
TPSA108.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol 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 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol?
The IUPAC name of 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol (CID 91501774) is 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol.
What is the SMILES notation for 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol?
The canonical SMILES for 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol is CC.CCNc1nc(N)nc(NCC)n1.Oc1ccccc1.
What is the InChIKey of 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol?
The InChIKey is VGQHZYAWXYJTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6.C6H6O.C2H6/c1-3-9-6-11-5(8)12-7(13-6)10-4-2;7-6-4-2-1-3-5-6;1-2/h3-4H2,1-2H3,(H4,8,9,10,11,12,13);1-5,7H;1-2H3.
What are the key properties of 2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol?
2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol has a molecular weight of 306.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 4 hydrogen bond donors, and 7 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;ethane;phenol is sourced from PubChem (CID 91501774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).