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

C17H17N5O3 — CID 135472801

IUPAC6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(Cc2nnc(N/N=C/c3ccc(C)o3)[nH]c2=O)cc1
InChIInChI=1S/C17H17N5O3/c1-11-3-6-14(25-11)10-18-21-17-19-16(23)15(20-22-17)9-12-4-7-13(24-2)8-5-12/h3-8,10H,9H2,1-2H3,(H2,19,21,22,23)/b18-10+
InChIKeyLQUBICSZNXOIRN-VCHYOVAHSA-N
MW339.36 g/mol
LogP2.11
Rot. Bonds6

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

6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135472801) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135472801
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(Cc2nnc(N/N=C/c3ccc(C)o3)[nH]c2=O)cc1
InChIInChI=1S/C17H17N5O3/c1-11-3-6-14(25-11)10-18-21-17-19-16(23)15(20-22-17)9-12-4-7-13(24-2)8-5-12/h3-8,10H,9H2,1-2H3,(H2,19,21,22,23)/b18-10+
InChIKeyLQUBICSZNXOIRN-VCHYOVAHSA-N
XLogP2.11
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-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

6-benzyl-3-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135506051
N-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide
CID 6888502
3-(4-butoxyphenyl)-N-[(E)-furan-2-ylmethylideneamino]propanamide
CID 6889021
2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135676414
4-Methoxybenzaldehyde (5-oxo-6-phenyl-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135411612
6-Benzyl-3-[(2E)-2-[(5-methylfuran-2-YL)methylidene]hydrazin-1-YL]-2,5-dihydro-1,2,4-triazin-5-one
CID 135439788
4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one
CID 70693720
N-(2-(2-furyl)-1-azavinyl)-4-(4-methoxyphenyl)butanamide
CID 758225
2-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135486527
(E)-6-(3,4-dimethoxybenzyl)-3-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1,2,4-triazin-5(2H)-one
CID 135528400
4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 9147033
4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-3-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione
CID 9244031

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135472801) is 6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is COc1ccc(Cc2nnc(N/N=C/c3ccc(C)o3)[nH]c2=O)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is LQUBICSZNXOIRN-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11-3-6-14(25-11)10-18-21-17-19-16(23)15(20-22-17)9-12-4-7-13(24-2)8-5-12/h3-8,10H,9H2,1-2H3,(H2,19,21,22,23)/b18-10+.
What are the key properties of 6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 339.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135472801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).