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

C8H17N7O — CID 46226073

IUPACN-[4-(butylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCCCCNc1nc(NN)nc(N(C)O)n1
InChIInChI=1S/C8H17N7O/c1-3-4-5-10-6-11-7(14-9)13-8(12-6)15(2)16/h16H,3-5,9H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyRMWJMCDFUICQNP-UHFFFAOYSA-N
MW227.27 g/mol
LogP0.19
Rot. Bonds6

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

N-[4-(butylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-N-methylhydroxylamine (PubChem CID 46226073) has the molecular formula C8H17N7O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-[4-(butylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[4-(butylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-N-methylhydroxylamine
PubChem CID46226073
Molecular FormulaC8H17N7O
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-[4-(butylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCCCCNc1nc(NN)nc(N(C)O)n1
InChIInChI=1S/C8H17N7O/c1-3-4-5-10-6-11-7(14-9)13-8(12-6)15(2)16/h16H,3-5,9H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyRMWJMCDFUICQNP-UHFFFAOYSA-N
XLogP0.19
TPSA112.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(butylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The IUPAC name of N-[4-(butylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-N-methylhydroxylamine (CID 46226073) is N-[4-(butylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-N-methylhydroxylamine.
What is the SMILES notation for N-[4-(butylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The canonical SMILES for N-[4-(butylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-N-methylhydroxylamine is CCCCNc1nc(NN)nc(N(C)O)n1.
What is the InChIKey of N-[4-(butylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The InChIKey is RMWJMCDFUICQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N7O/c1-3-4-5-10-6-11-7(14-9)13-8(12-6)15(2)16/h16H,3-5,9H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of N-[4-(butylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
N-[4-(butylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-N-methylhydroxylamine has a molecular weight of 227.27 g/mol, XLogP of 0.19, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-N-methylhydroxylamine is sourced from PubChem (CID 46226073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).