2-(1,3,5-triethyl-1,3,5-triazinan-2-yl)-1,3,5-triazine

C12H22N6 — CID 66821458

IUPAC2-(1,3,5-triethyl-1,3,5-triazinan-2-yl)-1,3,5-triazine
SMILESCCN1CN(CC)C(c2ncncn2)N(CC)C1
InChIInChI=1S/C12H22N6/c1-4-16-9-17(5-2)12(18(6-3)10-16)11-14-7-13-8-15-11/h7-8,12H,4-6,9-10H2,1-3H3
InChIKeyBKFCMCYAHWALPT-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.76
Rot. Bonds4

About 2-(1,3,5-triethyl-1,3,5-triazinan-2-yl)-1,3,5-triazine

2-(1,3,5-triethyl-1,3,5-triazinan-2-yl)-1,3,5-triazine (PubChem CID 66821458) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(1,3,5-triethyl-1,3,5-triazinan-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1,3,5-triethyl-1,3,5-triazinan-2-yl)-1,3,5-triazine
PubChem CID66821458
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name2-(1,3,5-triethyl-1,3,5-triazinan-2-yl)-1,3,5-triazine
SMILESCCN1CN(CC)C(c2ncncn2)N(CC)C1
InChIInChI=1S/C12H22N6/c1-4-16-9-17(5-2)12(18(6-3)10-16)11-14-7-13-8-15-11/h7-8,12H,4-6,9-10H2,1-3H3
InChIKeyBKFCMCYAHWALPT-UHFFFAOYSA-N
XLogP0.76
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1,3,5-triethyl-1,3,5-triazinan-2-yl)-1,3,5-triazine 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-(1,3,5-triethyl-1,3,5-triazinan-2-yl)-1,3,5-triazine?
The IUPAC name of 2-(1,3,5-triethyl-1,3,5-triazinan-2-yl)-1,3,5-triazine (CID 66821458) is 2-(1,3,5-triethyl-1,3,5-triazinan-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(1,3,5-triethyl-1,3,5-triazinan-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-(1,3,5-triethyl-1,3,5-triazinan-2-yl)-1,3,5-triazine is CCN1CN(CC)C(c2ncncn2)N(CC)C1.
What is the InChIKey of 2-(1,3,5-triethyl-1,3,5-triazinan-2-yl)-1,3,5-triazine?
The InChIKey is BKFCMCYAHWALPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-4-16-9-17(5-2)12(18(6-3)10-16)11-14-7-13-8-15-11/h7-8,12H,4-6,9-10H2,1-3H3.
What are the key properties of 2-(1,3,5-triethyl-1,3,5-triazinan-2-yl)-1,3,5-triazine?
2-(1,3,5-triethyl-1,3,5-triazinan-2-yl)-1,3,5-triazine has a molecular weight of 250.35 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-triethyl-1,3,5-triazinan-2-yl)-1,3,5-triazine is sourced from PubChem (CID 66821458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).