2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine

C11H22N6 — CID 80773692

IUPAC2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCN(CC)c1nc(NC)nc(N(C)C)n1
InChIInChI=1S/C11H22N6/c1-6-8-17(7-2)11-14-9(12-3)13-10(15-11)16(4)5/h6-8H2,1-5H3,(H,12,13,14,15)
InChIKeyDRCWLHXRISYWNI-UHFFFAOYSA-N
MW238.34 g/mol
LogP1.22
Rot. Bonds6

About 2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine

2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80773692) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is 2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80773692
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCN(CC)c1nc(NC)nc(N(C)C)n1
InChIInChI=1S/C11H22N6/c1-6-8-17(7-2)11-14-9(12-3)13-10(15-11)16(4)5/h6-8H2,1-5H3,(H,12,13,14,15)
InChIKeyDRCWLHXRISYWNI-UHFFFAOYSA-N
XLogP1.22
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine (CID 80773692) is 2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine is CCCN(CC)c1nc(NC)nc(N(C)C)n1.
What is the InChIKey of 2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DRCWLHXRISYWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-6-8-17(7-2)11-14-9(12-3)13-10(15-11)16(4)5/h6-8H2,1-5H3,(H,12,13,14,15).
What are the key properties of 2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine?
2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 238.34 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80773692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).