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

C8H18N6O3 — CID 18436507

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

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

N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane (PubChem CID 18436507) has the molecular formula C8H18N6O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane.

Molecular Properties

Compound NameN-ethyl-N-[4-[ethyl(hydroxy)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane
PubChem CID18436507
Molecular FormulaC8H18N6O3
Molecular Weight246.27 g/mol
Exact Mass246.14
IUPAC NameN-ethyl-N-[4-[ethyl(hydroxy)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane
SMILESC.CCN(O)c1nc(NO)nc(N(O)CC)n1
InChIInChI=1S/C7H14N6O3.CH4/c1-3-12(15)6-8-5(11-14)9-7(10-6)13(16)4-2;/h14-16H,3-4H2,1-2H3,(H,8,9,10,11);1H4
InChIKeyRMQWARDZHSAKQS-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'}

Analyze N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(butylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 46226431
N2,N2-Diethyl-N4,N6-dihydroxy-1,3,5-triazine-2,4,6-triamine
CID 13725134
N~2~,N~4~-Diethyl-N~6~-hydroxy-1,3,5-triazine-2,4,6-triamine
CID 13931064
N-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 45029482
N,N-diethylmelamine monohydrate
CID 129660668
2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
CID 11148548
2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine
CID 11347064
2-N-ethyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
CID 11389781
2-N,4-N-diethyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine
CID 11459155
4-N,4-N-diethyl-2-N,2-N-dihydroxy-1,3,5-triazine-2,4,6-triamine
CID 18680642
N-[4-[ethyl(methyl)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine
CID 20580433
N~4~,N~6~-Diethyl-N~2~-hydroxy-N~2~-methyl-1,3,5-triazine-2,4,6-triamine
CID 20818469

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane?
The IUPAC name of N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane (CID 18436507) is N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane.
What is the SMILES notation for N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane?
The canonical SMILES for N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane is C.CCN(O)c1nc(NO)nc(N(O)CC)n1.
What is the InChIKey of N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane?
The InChIKey is RMQWARDZHSAKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O3.CH4/c1-3-12(15)6-8-5(11-14)9-7(10-6)13(16)4-2;/h14-16H,3-4H2,1-2H3,(H,8,9,10,11);1H4.
What are the key properties of N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane?
N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-(hydroxyamino)-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-ethyl-N-[4-[ethyl(hydroxy)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane is sourced from PubChem (CID 18436507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).