4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine

C11H22N6O — CID 80917408

IUPAC4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCC(C)Oc1nc(NN)nc(N(CC)CC)n1
InChIInChI=1S/C11H22N6O/c1-5-8(4)18-11-14-9(16-12)13-10(15-11)17(6-2)7-3/h8H,5-7,12H2,1-4H3,(H,13,14,15,16)
InChIKeyLBNRURKXWPURBV-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.18
Rot. Bonds7

About 4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine

4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine (PubChem CID 80917408) has the molecular formula C11H22N6O and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
PubChem CID80917408
Molecular FormulaC11H22N6O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCC(C)Oc1nc(NN)nc(N(CC)CC)n1
InChIInChI=1S/C11H22N6O/c1-5-8(4)18-11-14-9(16-12)13-10(15-11)17(6-2)7-3/h8H,5-7,12H2,1-4H3,(H,13,14,15,16)
InChIKeyLBNRURKXWPURBV-UHFFFAOYSA-N
XLogP1.18
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-hydrazinyl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 80922713
N-butan-2-yl-N-ethyl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80894423
4-hydrazinyl-N,N-dimethyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989750
N-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80930026
N,N-diethyl-4-hydrazinyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 80910058
4-hydrazinyl-N-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80895085
6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 106795461
4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methoxyethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 82943478
4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 1115548
4-cycloheptyloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80913301
4-N-(1-cyclopropylethyl)-2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80906389
2-N-ethyl-2-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103192575

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine (CID 80917408) is 4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine is CCC(C)Oc1nc(NN)nc(N(CC)CC)n1.
What is the InChIKey of 4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine?
The InChIKey is LBNRURKXWPURBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O/c1-5-8(4)18-11-14-9(16-12)13-10(15-11)17(6-2)7-3/h8H,5-7,12H2,1-4H3,(H,13,14,15,16).
What are the key properties of 4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine?
4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine has a molecular weight of 254.34 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80917408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).