N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine

C10H21N7O — CID 80943903

IUPACN-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCCOc1nc(NN)nc(NCCCN(C)C)n1
InChIInChI=1S/C10H21N7O/c1-4-18-10-14-8(13-9(15-10)16-11)12-6-5-7-17(2)3/h4-7,11H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyYJTPCQBYBKAUDP-UHFFFAOYSA-N
MW255.33 g/mol
LogP-0.08
Rot. Bonds8

About N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine

N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 80943903) has the molecular formula C10H21N7O and a molecular weight of 255.33 g/mol. Its IUPAC name is N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID80943903
Molecular FormulaC10H21N7O
Molecular Weight255.33 g/mol
Exact Mass255.18
IUPAC NameN-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCCOc1nc(NN)nc(NCCCN(C)C)n1
InChIInChI=1S/C10H21N7O/c1-4-18-10-14-8(13-9(15-10)16-11)12-6-5-7-17(2)3/h4-7,11H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyYJTPCQBYBKAUDP-UHFFFAOYSA-N
XLogP-0.08
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
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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Related Compounds

5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107324376
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80770464
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80770559
4-ethoxy-6-hydrazinyl-N-(3-propoxypropyl)-1,3,5-triazin-2-amine
CID 82947451
4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 80913771
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-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 114944805
N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80898695
4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221
N-(2,2-dimethylbutyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 103466753
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine (CID 80943903) is N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine is CCOc1nc(NN)nc(NCCCN(C)C)n1.
What is the InChIKey of N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is YJTPCQBYBKAUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N7O/c1-4-18-10-14-8(13-9(15-10)16-11)12-6-5-7-17(2)3/h4-7,11H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 255.33 g/mol, XLogP of -0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 80943903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).