2-N,4-N,6-N-tris(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine

C12H24N6O3 — CID 3057112

IUPAC2-N,4-N,6-N-tris(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCOCNc1nc(NCOCC)nc(NCOCC)n1
InChIInChI=1S/C12H24N6O3/c1-4-19-7-13-10-16-11(14-8-20-5-2)18-12(17-10)15-9-21-6-3/h4-9H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKeyNRVJJIJCENKAOL-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.09
Rot. Bonds12

About 2-N,4-N,6-N-tris(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tris(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 3057112) has the molecular formula C12H24N6O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID3057112
Molecular FormulaC12H24N6O3
Molecular Weight300.36 g/mol
Exact Mass300.19
IUPAC Name2-N,4-N,6-N-tris(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCOCNc1nc(NCOCC)nc(NCOCC)n1
InChIInChI=1S/C12H24N6O3/c1-4-19-7-13-10-16-11(14-8-20-5-2)18-12(17-10)15-9-21-6-3/h4-9H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKeyNRVJJIJCENKAOL-UHFFFAOYSA-N
XLogP1.09
TPSA102.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-N,4-N,6-N-tris(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

Stk076603
CID 1375559
2-Amino-6-ethoxy-4-methylamino-1,3,5-triazine
CID 693795
({4-(Dimethylamino)-6-[(methoxymethyl)amino]-1,3,5-triazin-2-yl}oxy)acetonitrile
CID 614000
N,N',N''-Tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 75492
Pentakis(methoxymethyl)melamine
CID 18785363
TriMMM
CID 20067384
N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375553
4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19777647
2-N-methyl-6-(1,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 19870950
N~2~,N~4~,N~6~-Tris(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 20822524
N,N'-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 1375558
2-N,2-N,4-N-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 17065388

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tris(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 3057112) is 2-N,4-N,6-N-tris(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine is CCOCNc1nc(NCOCC)nc(NCOCC)n1.
What is the InChIKey of 2-N,4-N,6-N-tris(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NRVJJIJCENKAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O3/c1-4-19-7-13-10-16-11(14-8-20-5-2)18-12(17-10)15-9-21-6-3/h4-9H2,1-3H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-N,4-N,6-N-tris(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tris(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 300.36 g/mol, XLogP of 1.09, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 3057112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).