3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

C16H17N5O2 — CID 135784900

IUPAC3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCCc1c(/C(C)=N\Nc2nnc(C)c(=O)[nH]2)oc2ccccc12
InChIInChI=1S/C16H17N5O2/c1-4-11-12-7-5-6-8-13(12)23-14(11)9(2)18-20-16-17-15(22)10(3)19-21-16/h5-8H,4H2,1-3H3,(H2,17,20,21,22)/b18-9-
InChIKeyUGLYPACVAOKLAA-NVMNQCDNSA-N
MW311.35 g/mol
LogP2.62
Rot. Bonds4

About 3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135784900) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135784900
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCCc1c(/C(C)=N\Nc2nnc(C)c(=O)[nH]2)oc2ccccc12
InChIInChI=1S/C16H17N5O2/c1-4-11-12-7-5-6-8-13(12)23-14(11)9(2)18-20-16-17-15(22)10(3)19-21-16/h5-8H,4H2,1-3H3,(H2,17,20,21,22)/b18-9-
InChIKeyUGLYPACVAOKLAA-NVMNQCDNSA-N
XLogP2.62
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.62
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'}

Analyze 3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea
CID 73010672
ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate
CID 9075990
N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide
CID 9015206
3-[(2Z)-2-[1-(1,3-benzothiazol-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135739408
3-[(2Z)-2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135847872
6-methyl-3-[(2Z)-2-(1-phenylpentylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135475538
3-[(2Z)-2-[1-(2,4-dichloro-5-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784793
6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135722580
3-ethyl-4-oxochromene-2-carboxamide
CID 151195222
3,4-diethylchromen-2-one
CID 11680028
3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135515938
(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
CID 12573980

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135784900) is 3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is CCc1c(/C(C)=N\Nc2nnc(C)c(=O)[nH]2)oc2ccccc12.
What is the InChIKey of 3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is UGLYPACVAOKLAA-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-4-11-12-7-5-6-8-13(12)23-14(11)9(2)18-20-16-17-15(22)10(3)19-21-16/h5-8H,4H2,1-3H3,(H2,17,20,21,22)/b18-9-.
What are the key properties of 3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 311.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135784900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).