(4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine

C8H11N5O2 — CID 80913971

IUPAC(4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine
SMILESC#CCOc1nc(NN)nc(OCC)n1
InChIInChI=1S/C8H11N5O2/c1-3-5-15-8-11-6(13-9)10-7(12-8)14-4-2/h1H,4-5,9H2,2H3,(H,10,11,12,13)
InChIKeyOCRPMKJSBKQEGA-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.43
Rot. Bonds5

About (4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine

(4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80913971) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is (4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine
PubChem CID80913971
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name(4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine
SMILESC#CCOc1nc(NN)nc(OCC)n1
InChIInChI=1S/C8H11N5O2/c1-3-5-15-8-11-6(13-9)10-7(12-8)14-4-2/h1H,4-5,9H2,2H3,(H,10,11,12,13)
InChIKeyOCRPMKJSBKQEGA-UHFFFAOYSA-N
XLogP-0.43
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.43
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4-but-3-ynoxy-6-ethoxy-1,3,5-triazin-2-yl)hydrazine
CID 106795726
N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80898695
4-ethoxy-6-hydrazinyl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80917208
N-(2,2-dimethylbutyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 103466753
4-ethoxy-6-hydrazinyl-N-methyl-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80913146
4-ethoxy-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 114944805
N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80931014
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]acetamide
CID 80932009
(4-ethoxy-6-pyridin-3-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80916557
3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 80928778
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

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine (CID 80913971) is (4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine is C#CCOc1nc(NN)nc(OCC)n1.
What is the InChIKey of (4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is OCRPMKJSBKQEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-3-5-15-8-11-6(13-9)10-7(12-8)14-4-2/h1H,4-5,9H2,2H3,(H,10,11,12,13).
What are the key properties of (4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine?
(4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 209.21 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80913971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).