4-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol

C17H14N6O — CID 135489054

IUPAC4-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
SMILESCn1c2ccccc2c2nnc(N/N=C/c3ccc(O)cc3)nc21
InChIInChI=1S/C17H14N6O/c1-23-14-5-3-2-4-13(14)15-16(23)19-17(22-20-15)21-18-10-11-6-8-12(24)9-7-11/h2-10,24H,1H3,(H,19,21,22)/b18-10+
InChIKeyJTFLEMXVNYBZEM-VCHYOVAHSA-N
MW318.34 g/mol
LogP2.67
Rot. Bonds3

About 4-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol

4-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol (PubChem CID 135489054) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
PubChem CID135489054
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name4-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
SMILESCn1c2ccccc2c2nnc(N/N=C/c3ccc(O)cc3)nc21
InChIInChI=1S/C17H14N6O/c1-23-14-5-3-2-4-13(14)15-16(23)19-17(22-20-15)21-18-10-11-6-8-12(24)9-7-11/h2-10,24H,1H3,(H,19,21,22)/b18-10+
InChIKeyJTFLEMXVNYBZEM-VCHYOVAHSA-N
XLogP2.67
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
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'}

Analyze 4-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol (CID 135489054) is 4-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol is Cn1c2ccccc2c2nnc(N/N=C/c3ccc(O)cc3)nc21.
What is the InChIKey of 4-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol?
The InChIKey is JTFLEMXVNYBZEM-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H14N6O/c1-23-14-5-3-2-4-13(14)15-16(23)19-17(22-20-15)21-18-10-11-6-8-12(24)9-7-11/h2-10,24H,1H3,(H,19,21,22)/b18-10+.
What are the key properties of 4-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol?
4-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol has a molecular weight of 318.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135489054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).