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

C43H56N6O5 — CID 158006857

IUPAC2-N,2-N,4-N,4-N,6-N-pentaethyl-1,3,5-triazine-2,4,6-triamine;phenol
SMILESCCNc1nc(N(CC)CC)nc(N(CC)CC)n1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C13H26N6.5C6H6O/c1-6-14-11-15-12(18(7-2)8-3)17-13(16-11)19(9-4)10-5;5*7-6-4-2-1-3-5-6/h6-10H2,1-5H3,(H,14,15,16,17);5*1-5,7H
InChIKeyFEJYEZKXTBEFBE-UHFFFAOYSA-N
MW736.96 g/mol
LogP8.96
Rot. Bonds8

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

2-N,2-N,4-N,4-N,6-N-pentaethyl-1,3,5-triazine-2,4,6-triamine;phenol (PubChem CID 158006857) has the molecular formula C43H56N6O5 and a molecular weight of 736.96 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N-pentaethyl-1,3,5-triazine-2,4,6-triamine;phenol.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N-pentaethyl-1,3,5-triazine-2,4,6-triamine;phenol
PubChem CID158006857
Molecular FormulaC43H56N6O5
Molecular Weight736.96 g/mol
Exact Mass736.43
IUPAC Name2-N,2-N,4-N,4-N,6-N-pentaethyl-1,3,5-triazine-2,4,6-triamine;phenol
SMILESCCNc1nc(N(CC)CC)nc(N(CC)CC)n1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C13H26N6.5C6H6O/c1-6-14-11-15-12(18(7-2)8-3)17-13(16-11)19(9-4)10-5;5*7-6-4-2-1-3-5-6/h6-10H2,1-5H3,(H,14,15,16,17);5*1-5,7H
InChIKeyFEJYEZKXTBEFBE-UHFFFAOYSA-N
XLogP8.96
TPSA158.33 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500736.96
LogP ≤ 58.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 2-N,2-N,4-N,4-N,6-N-pentaethyl-1,3,5-triazine-2,4,6-triamine;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,2-N,4-N,4-N,6-N-pentaethyl-1,3,5-triazine-2,4,6-triamine;phenol?
The IUPAC name of 2-N,2-N,4-N,4-N,6-N-pentaethyl-1,3,5-triazine-2,4,6-triamine;phenol (CID 158006857) is 2-N,2-N,4-N,4-N,6-N-pentaethyl-1,3,5-triazine-2,4,6-triamine;phenol.
What is the SMILES notation for 2-N,2-N,4-N,4-N,6-N-pentaethyl-1,3,5-triazine-2,4,6-triamine;phenol?
The canonical SMILES for 2-N,2-N,4-N,4-N,6-N-pentaethyl-1,3,5-triazine-2,4,6-triamine;phenol is CCNc1nc(N(CC)CC)nc(N(CC)CC)n1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of 2-N,2-N,4-N,4-N,6-N-pentaethyl-1,3,5-triazine-2,4,6-triamine;phenol?
The InChIKey is FEJYEZKXTBEFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6.5C6H6O/c1-6-14-11-15-12(18(7-2)8-3)17-13(16-11)19(9-4)10-5;5*7-6-4-2-1-3-5-6/h6-10H2,1-5H3,(H,14,15,16,17);5*1-5,7H.
What are the key properties of 2-N,2-N,4-N,4-N,6-N-pentaethyl-1,3,5-triazine-2,4,6-triamine;phenol?
2-N,2-N,4-N,4-N,6-N-pentaethyl-1,3,5-triazine-2,4,6-triamine;phenol has a molecular weight of 736.96 g/mol, XLogP of 8.96, 8 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,6-N-pentaethyl-1,3,5-triazine-2,4,6-triamine;phenol is sourced from PubChem (CID 158006857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).