N-[4-[ethyl(methyl)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine

C6H12N6O2 — CID 20580433

IUPACN-[4-[ethyl(methyl)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine
SMILESCCN(C)c1nc(NO)nc(NO)n1
InChIInChI=1S/C6H12N6O2/c1-3-12(2)6-8-4(10-13)7-5(9-6)11-14/h13-14H,3H2,1-2H3,(H2,7,8,9,10,11)
InChIKeyVYGYAWGOVCIYLI-UHFFFAOYSA-N
MW200.20 g/mol
LogP-0.07
Rot. Bonds4

About N-[4-[ethyl(methyl)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine

N-[4-[ethyl(methyl)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine (PubChem CID 20580433) has the molecular formula C6H12N6O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is N-[4-[ethyl(methyl)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4-[ethyl(methyl)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine
PubChem CID20580433
Molecular FormulaC6H12N6O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC NameN-[4-[ethyl(methyl)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine
SMILESCCN(C)c1nc(NO)nc(NO)n1
InChIInChI=1S/C6H12N6O2/c1-3-12(2)6-8-4(10-13)7-5(9-6)11-14/h13-14H,3H2,1-2H3,(H2,7,8,9,10,11)
InChIKeyVYGYAWGOVCIYLI-UHFFFAOYSA-N
XLogP-0.07
TPSA106.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-[ethyl(methyl)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine?
The IUPAC name of N-[4-[ethyl(methyl)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine (CID 20580433) is N-[4-[ethyl(methyl)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine.
What is the SMILES notation for N-[4-[ethyl(methyl)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine?
The canonical SMILES for N-[4-[ethyl(methyl)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine is CCN(C)c1nc(NO)nc(NO)n1.
What is the InChIKey of N-[4-[ethyl(methyl)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine?
The InChIKey is VYGYAWGOVCIYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6O2/c1-3-12(2)6-8-4(10-13)7-5(9-6)11-14/h13-14H,3H2,1-2H3,(H2,7,8,9,10,11).
What are the key properties of N-[4-[ethyl(methyl)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine?
N-[4-[ethyl(methyl)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine has a molecular weight of 200.20 g/mol, XLogP of -0.07, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(methyl)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine is sourced from PubChem (CID 20580433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).