4-ethoxy-6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine

C13H20N6OS — CID 80930219

IUPAC4-ethoxy-6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(NCC(C)(C)c2cccs2)n1
InChIInChI=1S/C13H20N6OS/c1-4-20-12-17-10(16-11(18-12)19-14)15-8-13(2,3)9-6-5-7-21-9/h5-7H,4,8,14H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyDBBRAFWECYWALY-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.01
Rot. Bonds7

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

4-ethoxy-6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine (PubChem CID 80930219) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-ethoxy-6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
PubChem CID80930219
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name4-ethoxy-6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(NCC(C)(C)c2cccs2)n1
InChIInChI=1S/C13H20N6OS/c1-4-20-12-17-10(16-11(18-12)19-14)15-8-13(2,3)9-6-5-7-21-9/h5-7H,4,8,14H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyDBBRAFWECYWALY-UHFFFAOYSA-N
XLogP2.01
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.01
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'}

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Related Compounds

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
N-(2,2-dimethylbutyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 103466753
6-ethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 80528250
1-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 80902362
4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
CID 80943280
4-ethoxy-6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 80896902
4-ethoxy-6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
CID 106294470
4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943283
3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine
CID 80527787
5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 80525997
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 4-ethoxy-6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine (CID 80930219) is 4-ethoxy-6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine is CCOc1nc(NN)nc(NCC(C)(C)c2cccs2)n1.
What is the InChIKey of 4-ethoxy-6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is DBBRAFWECYWALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-4-20-12-17-10(16-11(18-12)19-14)15-8-13(2,3)9-6-5-7-21-9/h5-7H,4,8,14H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 4-ethoxy-6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine?
4-ethoxy-6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 308.41 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80930219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).