N-(triethoxymethyl)-1,3,5-triazin-2-amine

C10H18N4O3 — CID 91328286

IUPACN-(triethoxymethyl)-1,3,5-triazin-2-amine
SMILESCCOC(Nc1ncncn1)(OCC)OCC
InChIInChI=1S/C10H18N4O3/c1-4-15-10(16-5-2,17-6-3)14-9-12-7-11-8-13-9/h7-8H,4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyWMIJFCUHHJDCPQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.00
Rot. Bonds8

About N-(triethoxymethyl)-1,3,5-triazin-2-amine

N-(triethoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 91328286) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(triethoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(triethoxymethyl)-1,3,5-triazin-2-amine
PubChem CID91328286
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC NameN-(triethoxymethyl)-1,3,5-triazin-2-amine
SMILESCCOC(Nc1ncncn1)(OCC)OCC
InChIInChI=1S/C10H18N4O3/c1-4-15-10(16-5-2,17-6-3)14-9-12-7-11-8-13-9/h7-8H,4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyWMIJFCUHHJDCPQ-UHFFFAOYSA-N
XLogP1.00
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(triethoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(triethoxymethyl)-1,3,5-triazin-2-amine (CID 91328286) is N-(triethoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(triethoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(triethoxymethyl)-1,3,5-triazin-2-amine is CCOC(Nc1ncncn1)(OCC)OCC.
What is the InChIKey of N-(triethoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is WMIJFCUHHJDCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-4-15-10(16-5-2,17-6-3)14-9-12-7-11-8-13-9/h7-8H,4-6H2,1-3H3,(H,11,12,13,14).
What are the key properties of N-(triethoxymethyl)-1,3,5-triazin-2-amine?
N-(triethoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 242.28 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(triethoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 91328286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).