4-chloro-2-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]phenol

C16H11ClN6O — CID 135614544

IUPAC4-chloro-2-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/Nc1nnc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C16H11ClN6O/c17-10-5-6-13(24)9(7-10)8-18-22-16-20-15-14(21-23-16)11-3-1-2-4-12(11)19-15/h1-8,24H,(H2,19,20,22,23)/b18-8+
InChIKeyHYCANOQFSXLHBK-QGMBQPNBSA-N
MW338.76 g/mol
LogP3.31
Rot. Bonds3

About 4-chloro-2-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]phenol

4-chloro-2-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]phenol (PubChem CID 135614544) has the molecular formula C16H11ClN6O and a molecular weight of 338.76 g/mol. Its IUPAC name is 4-chloro-2-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]phenol
PubChem CID135614544
Molecular FormulaC16H11ClN6O
Molecular Weight338.76 g/mol
Exact Mass338.07
IUPAC Name4-chloro-2-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/Nc1nnc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C16H11ClN6O/c17-10-5-6-13(24)9(7-10)8-18-22-16-20-15-14(21-23-16)11-3-1-2-4-12(11)19-15/h1-8,24H,(H2,19,20,22,23)/b18-8+
InChIKeyHYCANOQFSXLHBK-QGMBQPNBSA-N
XLogP3.31
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 53.31
H-Bond Donors ≤ 53
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'}

Analyze 4-chloro-2-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)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

Related Compounds

3-(3-Hydroxy-phenyl)-4-(3-chloro-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327840
4-{4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenol
CID 135402835
3-hydroxybenzaldehyde (8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone
CID 9566753
3-hydroxybenzaldehyde (8-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone
CID 9567177
4-(5-Chloro-8-methyl-9H-1,2,3a,4,9,10-hexaaza-cyclopenta[b]fluoren-3-ylmethyl)-phenol
CID 135537650
2,4-dihydroxybenzaldehyde (8-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone
CID 135411599
4-chloro-2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]phenol
CID 137646491
4-hydroxybenzaldehyde (5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone
CID 135489054
2-[[(5-Benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 135500221
4-[(5-Methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol
CID 5271133
2-[(E)-[6-amino-7-ethyl-4-(ethylamino)-1H-pyrazolo[3,4-b]pyridin-7-ium-3-yl]iminomethyl]-4,6-dichloro-phenol
CID 135502271
2-[2-Amino-7-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-[(4-chlorophenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-chlorophenol
CID 137659128

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]phenol (CID 135614544) is 4-chloro-2-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]phenol is Oc1ccc(Cl)cc1/C=N/Nc1nnc2c(n1)[nH]c1ccccc12.
What is the InChIKey of 4-chloro-2-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]phenol?
The InChIKey is HYCANOQFSXLHBK-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H11ClN6O/c17-10-5-6-13(24)9(7-10)8-18-22-16-20-15-14(21-23-16)11-3-1-2-4-12(11)19-15/h1-8,24H,(H2,19,20,22,23)/b18-8+.
What are the key properties of 4-chloro-2-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]phenol?
4-chloro-2-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]phenol has a molecular weight of 338.76 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135614544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).