2-[(Z)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenol

C17H13N7O3 — CID 135816533

IUPAC2-[(Z)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenol
SMILESCc1ccc2[nH]c3nc(N/N=C\c4cccc([N+](=O)[O-])c4O)nnc3c2c1
InChIInChI=1S/C17H13N7O3/c1-9-5-6-12-11(7-9)14-16(19-12)20-17(23-21-14)22-18-8-10-3-2-4-13(15(10)25)24(26)27/h2-8,25H,1H3,(H2,19,20,22,23)/b18-8-
InChIKeyRWFDAONLDZXMPT-LSCVHKIXSA-N
MW363.34 g/mol
LogP2.87
Rot. Bonds4

About 2-[(Z)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenol

2-[(Z)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenol (PubChem CID 135816533) has the molecular formula C17H13N7O3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-[(Z)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenol.

Molecular Properties

Compound Name2-[(Z)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenol
PubChem CID135816533
Molecular FormulaC17H13N7O3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name2-[(Z)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenol
SMILESCc1ccc2[nH]c3nc(N/N=C\c4cccc([N+](=O)[O-])c4O)nnc3c2c1
InChIInChI=1S/C17H13N7O3/c1-9-5-6-12-11(7-9)14-16(19-12)20-17(23-21-14)22-18-8-10-3-2-4-13(15(10)25)24(26)27/h2-8,25H,1H3,(H2,19,20,22,23)/b18-8-
InChIKeyRWFDAONLDZXMPT-LSCVHKIXSA-N
XLogP2.87
TPSA142.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(Z)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenol 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

2-[(Z)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenolate
CID 7299064
2-[(Z)-[(6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenol
CID 135514381
2,6-dibromo-4-[(E)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 135504322
N-[(E)-1H-indol-3-ylmethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 135458959
4-bromo-2-methoxy-6-[(E)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 135619843
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 53265613
8-methyl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 7640302
N-[(E)-(4-fluorophenyl)methylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 53265203
N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6813765
N-[(Z)-(4-chlorophenyl)methylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6410040
2-[(E)-[(8-chloro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 135726317
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6410929

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenol?
The IUPAC name of 2-[(Z)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenol (CID 135816533) is 2-[(Z)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenol.
What is the SMILES notation for 2-[(Z)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenol?
The canonical SMILES for 2-[(Z)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenol is Cc1ccc2[nH]c3nc(N/N=C\c4cccc([N+](=O)[O-])c4O)nnc3c2c1.
What is the InChIKey of 2-[(Z)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenol?
The InChIKey is RWFDAONLDZXMPT-LSCVHKIXSA-N. The full InChI is InChI=1S/C17H13N7O3/c1-9-5-6-12-11(7-9)14-16(19-12)20-17(23-21-14)22-18-8-10-3-2-4-13(15(10)25)24(26)27/h2-8,25H,1H3,(H2,19,20,22,23)/b18-8-.
What are the key properties of 2-[(Z)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenol?
2-[(Z)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenol has a molecular weight of 363.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-6-nitrophenol is sourced from PubChem (CID 135816533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).