N-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine;hexanoic acid

C10H20N6O5 — CID 175331867

IUPACN-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine;hexanoic acid
SMILESCCCCCC(=O)O.CN(O)c1nc(NO)nc(NO)n1
InChIInChI=1S/C6H12O2.C4H8N6O3/c1-2-3-4-5-6(7)8;1-10(13)4-6-2(8-11)5-3(7-4)9-12/h2-5H2,1H3,(H,7,8);11-13H,1H3,(H2,5,6,7,8,9)
InChIKeyUWDXQWUIBPDNMY-UHFFFAOYSA-N
MW304.31 g/mol
LogP0.95
Rot. Bonds7

About N-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine;hexanoic acid

N-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine;hexanoic acid (PubChem CID 175331867) has the molecular formula C10H20N6O5 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine;hexanoic acid.

Molecular Properties

Compound NameN-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine;hexanoic acid
PubChem CID175331867
Molecular FormulaC10H20N6O5
Molecular Weight304.31 g/mol
Exact Mass304.15
IUPAC NameN-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine;hexanoic acid
SMILESCCCCCC(=O)O.CN(O)c1nc(NO)nc(NO)n1
InChIInChI=1S/C6H12O2.C4H8N6O3/c1-2-3-4-5-6(7)8;1-10(13)4-6-2(8-11)5-3(7-4)9-12/h2-5H2,1H3,(H,7,8);11-13H,1H3,(H2,5,6,7,8,9)
InChIKeyUWDXQWUIBPDNMY-UHFFFAOYSA-N
XLogP0.95
TPSA163.96 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.31
LogP ≤ 50.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine;hexanoic acid 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

butane;hexanoic acid
CID 87467677
N,N-dimethylmethanamine;octanoic acid
CID 173098896
butane;bis(dodecanoic acid)
CID 173065671
CID 57488644
CID 57488644
(1,3,5,7,9-13C5)hexadecanoic acid
CID 71309479
docosanoic acid;bis(tetracosanoic acid)
CID 161141504
hexatriacontanoic acid
CID 87094359
tetradecanoic acid
CID 88995416
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine;hexanoic acid?
The IUPAC name of N-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine;hexanoic acid (CID 175331867) is N-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine;hexanoic acid.
What is the SMILES notation for N-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine;hexanoic acid?
The canonical SMILES for N-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine;hexanoic acid is CCCCCC(=O)O.CN(O)c1nc(NO)nc(NO)n1.
What is the InChIKey of N-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine;hexanoic acid?
The InChIKey is UWDXQWUIBPDNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H8N6O3/c1-2-3-4-5-6(7)8;1-10(13)4-6-2(8-11)5-3(7-4)9-12/h2-5H2,1H3,(H,7,8);11-13H,1H3,(H2,5,6,7,8,9).
What are the key properties of N-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine;hexanoic acid?
N-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine;hexanoic acid has a molecular weight of 304.31 g/mol, XLogP of 0.95, 7 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine;hexanoic acid is sourced from PubChem (CID 175331867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).