4-[(E)-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol

C15H21N7O2 — CID 135524565

IUPAC4-[(E)-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
SMILESCCNc1nc(NCC)nc(N/N=C/c2ccc(O)c(OC)c2)n1
InChIInChI=1S/C15H21N7O2/c1-4-16-13-19-14(17-5-2)21-15(20-13)22-18-9-10-6-7-11(23)12(8-10)24-3/h6-9,23H,4-5H2,1-3H3,(H3,16,17,19,20,21,22)/b18-9+
InChIKeyPYBDINXDOCCXQO-GIJQJNRQSA-N
MW331.38 g/mol
LogP1.90
Rot. Bonds8

About 4-[(E)-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol

4-[(E)-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol (PubChem CID 135524565) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[(E)-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
PubChem CID135524565
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name4-[(E)-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
SMILESCCNc1nc(NCC)nc(N/N=C/c2ccc(O)c(OC)c2)n1
InChIInChI=1S/C15H21N7O2/c1-4-16-13-19-14(17-5-2)21-15(20-13)22-18-9-10-6-7-11(23)12(8-10)24-3/h6-9,23H,4-5H2,1-3H3,(H3,16,17,19,20,21,22)/b18-9+
InChIKeyPYBDINXDOCCXQO-GIJQJNRQSA-N
XLogP1.90
TPSA116.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol (CID 135524565) is 4-[(E)-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol is CCNc1nc(NCC)nc(N/N=C/c2ccc(O)c(OC)c2)n1.
What is the InChIKey of 4-[(E)-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol?
The InChIKey is PYBDINXDOCCXQO-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-4-16-13-19-14(17-5-2)21-15(20-13)22-18-9-10-6-7-11(23)12(8-10)24-3/h6-9,23H,4-5H2,1-3H3,(H3,16,17,19,20,21,22)/b18-9+.
What are the key properties of 4-[(E)-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol?
4-[(E)-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol has a molecular weight of 331.38 g/mol, XLogP of 1.90, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol is sourced from PubChem (CID 135524565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).