N-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine

C9H18N6O2 — CID 21135101

IUPACN-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCCN(CC)c1nc(N(C)O)nc(N(C)O)n1
InChIInChI=1S/C9H18N6O2/c1-5-15(6-2)9-11-7(13(3)16)10-8(12-9)14(4)17/h16-17H,5-6H2,1-4H3
InChIKeyGTNMNWJOEHHXMT-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.37
Rot. Bonds5

About N-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine

N-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine (PubChem CID 21135101) has the molecular formula C9H18N6O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
PubChem CID21135101
Molecular FormulaC9H18N6O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC NameN-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCCN(CC)c1nc(N(C)O)nc(N(C)O)n1
InChIInChI=1S/C9H18N6O2/c1-5-15(6-2)9-11-7(13(3)16)10-8(12-9)14(4)17/h16-17H,5-6H2,1-4H3
InChIKeyGTNMNWJOEHHXMT-UHFFFAOYSA-N
XLogP0.37
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N,4-N-triethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80774543
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 55125237
1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 79386252
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]-N,N-dimethylacetamide
CID 80780070
4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 62870530
4-N-butyl-2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80916617
2-N,2-N-diethyl-4-N-methyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
CID 112667625
N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 54375896
2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80795919
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 80791325
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 80899174

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The IUPAC name of N-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine (CID 21135101) is N-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine.
What is the SMILES notation for N-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The canonical SMILES for N-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine is CCN(CC)c1nc(N(C)O)nc(N(C)O)n1.
What is the InChIKey of N-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The InChIKey is GTNMNWJOEHHXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2/c1-5-15(6-2)9-11-7(13(3)16)10-8(12-9)14(4)17/h16-17H,5-6H2,1-4H3.
What are the key properties of N-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
N-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine has a molecular weight of 242.28 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine is sourced from PubChem (CID 21135101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).