N-[4-(diethylamino)-6-(dihydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane

C8H18N6O3 — CID 21107876

IUPACN-[4-(diethylamino)-6-(dihydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane
SMILESC.CCN(CC)c1nc(NO)nc(N(O)O)n1
InChIInChI=1S/C7H14N6O3.CH4/c1-3-12(4-2)6-8-5(11-14)9-7(10-6)13(15)16;/h14-16H,3-4H2,1-2H3,(H,8,9,10,11);1H4
InChIKeyBHQFRNNYCXXXQA-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.74
Rot. Bonds5

About N-[4-(diethylamino)-6-(dihydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane

N-[4-(diethylamino)-6-(dihydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane (PubChem CID 21107876) has the molecular formula C8H18N6O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[4-(diethylamino)-6-(dihydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane.

Molecular Properties

Compound NameN-[4-(diethylamino)-6-(dihydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane
PubChem CID21107876
Molecular FormulaC8H18N6O3
Molecular Weight246.27 g/mol
Exact Mass246.14
IUPAC NameN-[4-(diethylamino)-6-(dihydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane
SMILESC.CCN(CC)c1nc(NO)nc(N(O)O)n1
InChIInChI=1S/C7H14N6O3.CH4/c1-3-12(4-2)6-8-5(11-14)9-7(10-6)13(15)16;/h14-16H,3-4H2,1-2H3,(H,8,9,10,11);1H4
InChIKeyBHQFRNNYCXXXQA-UHFFFAOYSA-N
XLogP0.74
TPSA117.87 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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-(diethylamino)-6-(dihydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane?
The IUPAC name of N-[4-(diethylamino)-6-(dihydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane (CID 21107876) is N-[4-(diethylamino)-6-(dihydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane.
What is the SMILES notation for N-[4-(diethylamino)-6-(dihydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane?
The canonical SMILES for N-[4-(diethylamino)-6-(dihydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane is C.CCN(CC)c1nc(NO)nc(N(O)O)n1.
What is the InChIKey of N-[4-(diethylamino)-6-(dihydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane?
The InChIKey is BHQFRNNYCXXXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O3.CH4/c1-3-12(4-2)6-8-5(11-14)9-7(10-6)13(15)16;/h14-16H,3-4H2,1-2H3,(H,8,9,10,11);1H4.
What are the key properties of N-[4-(diethylamino)-6-(dihydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane?
N-[4-(diethylamino)-6-(dihydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane has a molecular weight of 246.27 g/mol, XLogP of 0.74, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-6-(dihydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane is sourced from PubChem (CID 21107876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).