2-[2-methoxy-6-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenoxy]acetic acid

C20H19N5O5 — CID 7765817

IUPAC2-[2-methoxy-6-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCOc1ccccc1-c1cnnc(N/N=C\c2cccc(OC)c2OCC(=O)O)n1
InChIInChI=1S/C20H19N5O5/c1-28-16-8-4-3-7-14(16)15-11-22-25-20(23-15)24-21-10-13-6-5-9-17(29-2)19(13)30-12-18(26)27/h3-11H,12H2,1-2H3,(H,26,27)(H,23,24,25)/b21-10-
InChIKeyMCOHNQUFTNFFAK-FBHDLOMBSA-N
MW409.40 g/mol
LogP2.47
Rot. Bonds9

About 2-[2-methoxy-6-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-methoxy-6-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 7765817) has the molecular formula C20H19N5O5 and a molecular weight of 409.40 g/mol. Its IUPAC name is 2-[2-methoxy-6-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-6-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID7765817
Molecular FormulaC20H19N5O5
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Name2-[2-methoxy-6-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCOc1ccccc1-c1cnnc(N/N=C\c2cccc(OC)c2OCC(=O)O)n1
InChIInChI=1S/C20H19N5O5/c1-28-16-8-4-3-7-14(16)15-11-22-25-20(23-15)24-21-10-13-6-5-9-17(29-2)19(13)30-12-18(26)27/h3-11H,12H2,1-2H3,(H,26,27)(H,23,24,25)/b21-10-
InChIKeyMCOHNQUFTNFFAK-FBHDLOMBSA-N
XLogP2.47
TPSA128.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'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 2-[2-methoxy-6-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-methoxy-6-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenoxy]acetic acid (CID 7765817) is 2-[2-methoxy-6-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methoxy-6-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methoxy-6-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenoxy]acetic acid is COc1ccccc1-c1cnnc(N/N=C\c2cccc(OC)c2OCC(=O)O)n1.
What is the InChIKey of 2-[2-methoxy-6-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is MCOHNQUFTNFFAK-FBHDLOMBSA-N. The full InChI is InChI=1S/C20H19N5O5/c1-28-16-8-4-3-7-14(16)15-11-22-25-20(23-15)24-21-10-13-6-5-9-17(29-2)19(13)30-12-18(26)27/h3-11H,12H2,1-2H3,(H,26,27)(H,23,24,25)/b21-10-.
What are the key properties of 2-[2-methoxy-6-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-methoxy-6-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 409.40 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-6-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 7765817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).