2-[(Z)-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-nitrophenol

C10H9N7O5 — CID 136878186

IUPAC2-[(Z)-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-nitrophenol
SMILESCn1nc([N+](=O)[O-])nc1N/N=C\c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H9N7O5/c1-15-9(12-10(14-15)17(21)22)13-11-5-6-4-7(16(19)20)2-3-8(6)18/h2-5,18H,1H3,(H,12,13,14)/b11-5-
InChIKeyNOKGUQULXCQOKQ-WZUFQYTHSA-N
MW307.23 g/mol
LogP0.78
Rot. Bonds5

About 2-[(Z)-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-nitrophenol

2-[(Z)-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-nitrophenol (PubChem CID 136878186) has the molecular formula C10H9N7O5 and a molecular weight of 307.23 g/mol. Its IUPAC name is 2-[(Z)-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(Z)-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-nitrophenol
PubChem CID136878186
Molecular FormulaC10H9N7O5
Molecular Weight307.23 g/mol
Exact Mass307.07
IUPAC Name2-[(Z)-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-nitrophenol
SMILESCn1nc([N+](=O)[O-])nc1N/N=C\c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H9N7O5/c1-15-9(12-10(14-15)17(21)22)13-11-5-6-4-7(16(19)20)2-3-8(6)18/h2-5,18H,1H3,(H,12,13,14)/b11-5-
InChIKeyNOKGUQULXCQOKQ-WZUFQYTHSA-N
XLogP0.78
TPSA161.61 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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)-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-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

4-nitro-2-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135563463
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol
CID 3448600
4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 135642191
4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135514277
4-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 135625932
4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4646161
2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol
CID 135406122
2-[(E)-[[4-anilino-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-nitrophenol
CID 135637772
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 135682502
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 135800428

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-nitrophenol?
The IUPAC name of 2-[(Z)-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-nitrophenol (CID 136878186) is 2-[(Z)-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-nitrophenol.
What is the SMILES notation for 2-[(Z)-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-nitrophenol?
The canonical SMILES for 2-[(Z)-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-nitrophenol is Cn1nc([N+](=O)[O-])nc1N/N=C\c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-[(Z)-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-nitrophenol?
The InChIKey is NOKGUQULXCQOKQ-WZUFQYTHSA-N. The full InChI is InChI=1S/C10H9N7O5/c1-15-9(12-10(14-15)17(21)22)13-11-5-6-4-7(16(19)20)2-3-8(6)18/h2-5,18H,1H3,(H,12,13,14)/b11-5-.
What are the key properties of 2-[(Z)-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-nitrophenol?
2-[(Z)-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-nitrophenol has a molecular weight of 307.23 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-nitrophenol is sourced from PubChem (CID 136878186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).