6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione

C14H11N5O3 — CID 135504466

IUPAC6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N/N=C/c2c(O)ccc3ccccc23)c(=O)[nH]1
InChIInChI=1S/C14H11N5O3/c20-11-6-5-8-3-1-2-4-9(8)10(11)7-15-17-12-13(21)16-14(22)19-18-12/h1-7,20H,(H,17,18)(H2,16,19,21,22)/b15-7+
InChIKeyGIHFBJIMYQAIKK-VIZOYTHASA-N
MW297.27 g/mol
LogP0.76
Rot. Bonds3

About 6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione

6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 135504466) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is 6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
PubChem CID135504466
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC Name6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N/N=C/c2c(O)ccc3ccccc23)c(=O)[nH]1
InChIInChI=1S/C14H11N5O3/c20-11-6-5-8-3-1-2-4-9(8)10(11)7-15-17-12-13(21)16-14(22)19-18-12/h1-7,20H,(H,17,18)(H2,16,19,21,22)/b15-7+
InChIKeyGIHFBJIMYQAIKK-VIZOYTHASA-N
XLogP0.76
TPSA123.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 136787273
2-[2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135454039
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]propanamide
CID 110511591
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
6-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 135504468
6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 2841509
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]naphthalen-2-ol
CID 135614773
1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]naphthalen-2-ol
CID 4026008
6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 4282332

Frequently Asked Questions

What is the IUPAC name of 6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione (CID 135504466) is 6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(N/N=C/c2c(O)ccc3ccccc23)c(=O)[nH]1.
What is the InChIKey of 6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is GIHFBJIMYQAIKK-VIZOYTHASA-N. The full InChI is InChI=1S/C14H11N5O3/c20-11-6-5-8-3-1-2-4-9(8)10(11)7-15-17-12-13(21)16-14(22)19-18-12/h1-7,20H,(H,17,18)(H2,16,19,21,22)/b15-7+.
What are the key properties of 6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 297.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 135504466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).