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

C8H16N6O2 — CID 45029482

IUPACN-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCCCNc1nc(N(C)O)nc(N(C)O)n1
InChIInChI=1S/C8H16N6O2/c1-4-5-9-6-10-7(13(2)15)12-8(11-6)14(3)16/h15-16H,4-5H2,1-3H3,(H,9,10,11,12)
InChIKeyAEWJTONYWGPPAK-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.34
Rot. Bonds5

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

N-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine (PubChem CID 45029482) has the molecular formula C8H16N6O2 and a molecular weight of 228.26 g/mol. Its IUPAC name is N-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
PubChem CID45029482
Molecular FormulaC8H16N6O2
Molecular Weight228.26 g/mol
Exact Mass228.13
IUPAC NameN-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCCCNc1nc(N(C)O)nc(N(C)O)n1
InChIInChI=1S/C8H16N6O2/c1-4-5-9-6-10-7(13(2)15)12-8(11-6)14(3)16/h15-16H,4-5H2,1-3H3,(H,9,10,11,12)
InChIKeyAEWJTONYWGPPAK-UHFFFAOYSA-N
XLogP0.34
TPSA97.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(butan-2-yl)-N'-ethyl-6-[(propan-2-ylideneamino)oxy]-1,3,5-triazine-2,4-diamine
CID 3098377
N-Butyl-1,3,5-triazine-2,4,6-triamine
CID 197831
1,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxy-N'-propyl-
CID 2173744
N-[4-(butylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 46226431
N2,N4,N6-Tripropyl-1,3,5-triazine-2,4,6-triamine
CID 11368773
Triethylmelamine
CID 27778
Ena-001
CID 57340959
Melamine, N2,N4,N6-triisopropyl-
CID 21623
N2,N4,N6-tris(2-methylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 11737971
1,3,5-Triazine-2,4,6-triamine, N-ethyl-N'-(1-methylethyl)-
CID 11217811
2-N-[amino-(methoxyamino)methyl]-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 3125281
N-[4-(butylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 46226073

Frequently Asked Questions

What is the IUPAC name of N-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The IUPAC name of N-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine (CID 45029482) is N-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine.
What is the SMILES notation for N-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The canonical SMILES for N-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine is CCCNc1nc(N(C)O)nc(N(C)O)n1.
What is the InChIKey of N-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The InChIKey is AEWJTONYWGPPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O2/c1-4-5-9-6-10-7(13(2)15)12-8(11-6)14(3)16/h15-16H,4-5H2,1-3H3,(H,9,10,11,12).
What are the key properties of N-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
N-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine has a molecular weight of 228.26 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine is sourced from PubChem (CID 45029482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).