[4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine

C14H17N5O2 — CID 80906142

IUPAC[4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine
SMILESC/C=C/c1ccccc1Oc1nc(NN)nc(OCC)n1
InChIInChI=1S/C14H17N5O2/c1-3-7-10-8-5-6-9-11(10)21-14-17-12(19-15)16-13(18-14)20-4-2/h3,5-9H,4,15H2,1-2H3,(H,16,17,18,19)/b7-3+
InChIKeyOUVMJSUHSKZPFJ-XVNBXDOJSA-N
MW287.32 g/mol
LogP2.38
Rot. Bonds6

About [4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine

[4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80906142) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is [4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine
PubChem CID80906142
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name[4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine
SMILESC/C=C/c1ccccc1Oc1nc(NN)nc(OCC)n1
InChIInChI=1S/C14H17N5O2/c1-3-7-10-8-5-6-9-11(10)21-14-17-12(19-15)16-13(18-14)20-4-2/h3,5-9H,4,15H2,1-2H3,(H,16,17,18,19)/b7-3+
InChIKeyOUVMJSUHSKZPFJ-XVNBXDOJSA-N
XLogP2.38
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.38
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'}

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Related Compounds

[5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine
CID 80912130
(4-ethoxy-6-pyridin-3-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80916557
[4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80925530
[4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80921400
[4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 114677402
4-ethoxy-6-(2-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863784
[2,5-dimethyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-yl]hydrazine
CID 80911518
[4-(4-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80917858
N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine
CID 80860701
4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943283
4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80928193
5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine
CID 80846532

Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine (CID 80906142) is [4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine is C/C=C/c1ccccc1Oc1nc(NN)nc(OCC)n1.
What is the InChIKey of [4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is OUVMJSUHSKZPFJ-XVNBXDOJSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-3-7-10-8-5-6-9-11(10)21-14-17-12(19-15)16-13(18-14)20-4-2/h3,5-9H,4,15H2,1-2H3,(H,16,17,18,19)/b7-3+.
What are the key properties of [4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine?
[4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 287.32 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80906142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).