N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine

C10H20N6O — CID 80898695

IUPACN-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(NCC(C)(C)C)n1
InChIInChI=1S/C10H20N6O/c1-5-17-9-14-7(12-6-10(2,3)4)13-8(15-9)16-11/h5-6,11H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyIHIAVFLCCKCNEN-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.01
Rot. Bonds5

About N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine

N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine (PubChem CID 80898695) has the molecular formula C10H20N6O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
PubChem CID80898695
Molecular FormulaC10H20N6O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC NameN-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(NCC(C)(C)C)n1
InChIInChI=1S/C10H20N6O/c1-5-17-9-14-7(12-6-10(2,3)4)13-8(15-9)16-11/h5-6,11H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyIHIAVFLCCKCNEN-UHFFFAOYSA-N
XLogP1.01
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.01
H-Bond Donors ≤ 53
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-(2,2-dimethylbutyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 103466753
4-ethoxy-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 114944805
1-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 80902362
4-ethoxy-6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
CID 106294470
4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 80913771
4-ethoxy-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 80909165
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]acetamide
CID 80932009
4-ethoxy-6-hydrazinyl-N-(3-propoxypropyl)-1,3,5-triazin-2-amine
CID 82947451
4-ethoxy-6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 80930219
N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80943903
5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107324376
4-ethoxy-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80897139

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine (CID 80898695) is N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine is CCOc1nc(NN)nc(NCC(C)(C)C)n1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
The InChIKey is IHIAVFLCCKCNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O/c1-5-17-9-14-7(12-6-10(2,3)4)13-8(15-9)16-11/h5-6,11H2,1-4H3,(H2,12,13,14,15,16).
What are the key properties of N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine has a molecular weight of 240.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80898695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).