N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine

C8H16N6O — CID 20818469

IUPACN-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCCNc1nc(NCC)nc(N(C)O)n1
InChIInChI=1S/C8H16N6O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14(3)15/h15H,4-5H2,1-3H3,(H2,9,10,11,12,13)
InChIKeyPZPJHAQYSOMHQU-UHFFFAOYSA-N
MW212.26 g/mol
LogP0.56
Rot. Bonds5

About N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine

N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine (PubChem CID 20818469) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
PubChem CID20818469
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC NameN-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCCNc1nc(NCC)nc(N(C)O)n1
InChIInChI=1S/C8H16N6O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14(3)15/h15H,4-5H2,1-3H3,(H2,9,10,11,12,13)
InChIKeyPZPJHAQYSOMHQU-UHFFFAOYSA-N
XLogP0.56
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The IUPAC name of N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine (CID 20818469) is N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine.
What is the SMILES notation for N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The canonical SMILES for N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine is CCNc1nc(NCC)nc(N(C)O)n1.
What is the InChIKey of N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The InChIKey is PZPJHAQYSOMHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14(3)15/h15H,4-5H2,1-3H3,(H2,9,10,11,12,13).
What are the key properties of N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine has a molecular weight of 212.26 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine is sourced from PubChem (CID 20818469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).