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

C9H18N6O2 — CID 46226431

IUPACN-[4-(butylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCCCCNc1nc(N(C)O)nc(N(C)O)n1
InChIInChI=1S/C9H18N6O2/c1-4-5-6-10-7-11-8(14(2)16)13-9(12-7)15(3)17/h16-17H,4-6H2,1-3H3,(H,10,11,12,13)
InChIKeyOPWPREADCIJPAC-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.73
Rot. Bonds6

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

N-[4-(butylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine (PubChem CID 46226431) has the molecular formula C9H18N6O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[4-(butylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[4-(butylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
PubChem CID46226431
Molecular FormulaC9H18N6O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC NameN-[4-(butylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCCCCNc1nc(N(C)O)nc(N(C)O)n1
InChIInChI=1S/C9H18N6O2/c1-4-5-6-10-7-11-8(14(2)16)13-9(12-7)15(3)17/h16-17H,4-6H2,1-3H3,(H,10,11,12,13)
InChIKeyOPWPREADCIJPAC-UHFFFAOYSA-N
XLogP0.73
TPSA97.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
6-N-butyl-2-N,4-N-ditert-butyl-1,3,5-triazine-2,4,6-triamine
CID 4400747
N2,N4,N6-Tripropyl-1,3,5-triazine-2,4,6-triamine
CID 11368773
Triethylmelamine
CID 27778
Ena-001
CID 57340959
N2,N4,N6-tris(2-methylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 11737971
N-[4-(butylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 46226073
6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 18304
4,6-dimethoxy-N-propyl-1,3,5-triazin-2-amine
CID 2056051
N~2~,N~4~,N~6~-Tris(4-aminobutyl)-1,3,5-triazine-2,4,6-triamine
CID 14008523

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The IUPAC name of N-[4-(butylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine (CID 46226431) is N-[4-(butylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine.
What is the SMILES notation for N-[4-(butylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The canonical SMILES for N-[4-(butylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine is CCCCNc1nc(N(C)O)nc(N(C)O)n1.
What is the InChIKey of N-[4-(butylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The InChIKey is OPWPREADCIJPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2/c1-4-5-6-10-7-11-8(14(2)16)13-9(12-7)15(3)17/h16-17H,4-6H2,1-3H3,(H,10,11,12,13).
What are the key properties of N-[4-(butylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
N-[4-(butylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine has a molecular weight of 242.28 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine is sourced from PubChem (CID 46226431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).