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

C12H25N7O — CID 80908233

IUPAC2-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCOc1nc(NN)nc(NC(C)CN(CC)CC)n1
InChIInChI=1S/C12H25N7O/c1-5-19(6-2)8-9(4)14-10-15-11(18-13)17-12(16-10)20-7-3/h9H,5-8,13H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyCWQNFVXUABVMAP-UHFFFAOYSA-N
MW283.38 g/mol
LogP0.70
Rot. Bonds9

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

2-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-1-N,1-N-diethylpropane-1,2-diamine (PubChem CID 80908233) has the molecular formula C12H25N7O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-1-N,1-N-diethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-1-N,1-N-diethylpropane-1,2-diamine
PubChem CID80908233
Molecular FormulaC12H25N7O
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC Name2-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCOc1nc(NN)nc(NC(C)CN(CC)CC)n1
InChIInChI=1S/C12H25N7O/c1-5-19(6-2)8-9(4)14-10-15-11(18-13)17-12(16-10)20-7-3/h9H,5-8,13H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyCWQNFVXUABVMAP-UHFFFAOYSA-N
XLogP0.70
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

4-ethoxy-6-hydrazinyl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80917208
methyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate
CID 114284142
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 80897980
4-ethoxy-6-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80915837
4-ethoxy-6-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 80901228
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-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine
CID 80901930
N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80898695
N-(2,2-dimethylbutyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 103466753
4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 80913771
4-ethoxy-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 114944805
4-ethoxy-6-hydrazinyl-N-methyl-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80913146

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-1-N,1-N-diethylpropane-1,2-diamine (CID 80908233) is 2-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-1-N,1-N-diethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-1-N,1-N-diethylpropane-1,2-diamine is CCOc1nc(NN)nc(NC(C)CN(CC)CC)n1.
What is the InChIKey of 2-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The InChIKey is CWQNFVXUABVMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N7O/c1-5-19(6-2)8-9(4)14-10-15-11(18-13)17-12(16-10)20-7-3/h9H,5-8,13H2,1-4H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-1-N,1-N-diethylpropane-1,2-diamine?
2-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-1-N,1-N-diethylpropane-1,2-diamine has a molecular weight of 283.38 g/mol, XLogP of 0.70, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-1-N,1-N-diethylpropane-1,2-diamine is sourced from PubChem (CID 80908233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).