5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one

C15H16N6O — CID 110514494

IUPAC5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
SMILESCCn1cc(/C=N/Nc2nc(=O)[nH]nc2C)c2ccccc21
InChIInChI=1S/C15H16N6O/c1-3-21-9-11(12-6-4-5-7-13(12)21)8-16-19-14-10(2)18-20-15(22)17-14/h4-9H,3H2,1-2H3,(H2,17,19,20,22)/b16-8+
InChIKeyVNHKASYVOJCUSL-LZYBPNLTSA-N
MW296.33 g/mol
LogP1.89
Rot. Bonds4

About 5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one

5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one (PubChem CID 110514494) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
PubChem CID110514494
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
SMILESCCn1cc(/C=N/Nc2nc(=O)[nH]nc2C)c2ccccc21
InChIInChI=1S/C15H16N6O/c1-3-21-9-11(12-6-4-5-7-13(12)21)8-16-19-14-10(2)18-20-15(22)17-14/h4-9H,3H2,1-2H3,(H2,17,19,20,22)/b16-8+
InChIKeyVNHKASYVOJCUSL-LZYBPNLTSA-N
XLogP1.89
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

5-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 2791357
5-[2-[(2-butoxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 71967164
N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511979
[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103
5-[2-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 71967176
5-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 135412297
N-[(E)-(1-ethylindol-3-yl)methylideneamino]-4-nitroaniline
CID 110506443
3-chloro-N-[(E)-(1-ethylindol-3-yl)methylideneamino]-4-methylaniline
CID 110506575
6-methyl-5-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 71967014
6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2789675
N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 110526255
6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2789664

Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one (CID 110514494) is 5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one is CCn1cc(/C=N/Nc2nc(=O)[nH]nc2C)c2ccccc21.
What is the InChIKey of 5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The InChIKey is VNHKASYVOJCUSL-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H16N6O/c1-3-21-9-11(12-6-4-5-7-13(12)21)8-16-19-14-10(2)18-20-15(22)17-14/h4-9H,3H2,1-2H3,(H2,17,19,20,22)/b16-8+.
What are the key properties of 5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one has a molecular weight of 296.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 110514494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).