6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione

C11H11N5O4 — CID 2841509

IUPAC6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
SMILESCOc1cc(C=NNc2n[nH]c(=O)[nH]c2=O)ccc1O
InChIInChI=1S/C11H11N5O4/c1-20-8-4-6(2-3-7(8)17)5-12-14-9-10(18)13-11(19)16-15-9/h2-5,17H,1H3,(H,14,15)(H2,13,16,18,19)
InChIKeyPTYBYHLRWFOBKG-UHFFFAOYSA-N
MW277.24 g/mol
LogP-0.38
Rot. Bonds4

About 6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione

6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 2841509) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is 6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
PubChem CID2841509
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC Name6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
SMILESCOc1cc(C=NNc2n[nH]c(=O)[nH]c2=O)ccc1O
InChIInChI=1S/C11H11N5O4/c1-20-8-4-6(2-3-7(8)17)5-12-14-9-10(18)13-11(19)16-15-9/h2-5,17H,1H3,(H,14,15)(H2,13,16,18,19)
InChIKeyPTYBYHLRWFOBKG-UHFFFAOYSA-N
XLogP-0.38
TPSA132.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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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Related Compounds

6-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 135504468
3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 136787389
5-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 135412161
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136911152
2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
CID 135615207
6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
CID 136914122
2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136910758
6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
CID 3578416
6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 4282332
5-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2788039
3-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136859969
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 136732637

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione (CID 2841509) is 6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione is COc1cc(C=NNc2n[nH]c(=O)[nH]c2=O)ccc1O.
What is the InChIKey of 6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is PTYBYHLRWFOBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4/c1-20-8-4-6(2-3-7(8)17)5-12-14-9-10(18)13-11(19)16-15-9/h2-5,17H,1H3,(H,14,15)(H2,13,16,18,19).
What are the key properties of 6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 277.24 g/mol, XLogP of -0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 2841509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).