4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one

C19H20N6O3 — CID 70693720

IUPAC4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one
SMILESCOc1ccc(/C=N/Nc2nnc(Cc3ccc(OC)cc3)c(=O)n2N)cc1
InChIInChI=1S/C19H20N6O3/c1-27-15-7-3-13(4-8-15)11-17-18(26)25(20)19(24-22-17)23-21-12-14-5-9-16(28-2)10-6-14/h3-10,12H,11,20H2,1-2H3,(H,23,24)/b21-12+
InChIKeyTXSJENBPDJZEHV-CIAFOILYSA-N
MW380.41 g/mol
LogP1.41
Rot. Bonds7

About 4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one

4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one (PubChem CID 70693720) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one
PubChem CID70693720
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one
SMILESCOc1ccc(/C=N/Nc2nnc(Cc3ccc(OC)cc3)c(=O)n2N)cc1
InChIInChI=1S/C19H20N6O3/c1-27-15-7-3-13(4-8-15)11-17-18(26)25(20)19(24-22-17)23-21-12-14-5-9-16(28-2)10-6-14/h3-10,12H,11,20H2,1-2H3,(H,23,24)/b21-12+
InChIKeyTXSJENBPDJZEHV-CIAFOILYSA-N
XLogP1.41
TPSA116.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.41
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 4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one (CID 70693720) is 4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one is COc1ccc(/C=N/Nc2nnc(Cc3ccc(OC)cc3)c(=O)n2N)cc1.
What is the InChIKey of 4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one?
The InChIKey is TXSJENBPDJZEHV-CIAFOILYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-27-15-7-3-13(4-8-15)11-17-18(26)25(20)19(24-22-17)23-21-12-14-5-9-16(28-2)10-6-14/h3-10,12H,11,20H2,1-2H3,(H,23,24)/b21-12+.
What are the key properties of 4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one?
4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one has a molecular weight of 380.41 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one is sourced from PubChem (CID 70693720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).