(NZ)-N-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)hydroxylamine

C12H12N4O — CID 135536526

IUPAC(NZ)-N-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)hydroxylamine
SMILESO/N=C1/CCCc2nn(-c3ccccc3)nc21
InChIInChI=1S/C12H12N4O/c17-15-11-8-4-7-10-12(11)14-16(13-10)9-5-2-1-3-6-9/h1-3,5-6,17H,4,7-8H2/b15-11-
InChIKeyOBUYPANMZNFRGC-PTNGSMBKSA-N
MW228.26 g/mol
LogP1.78
Rot. Bonds1

About (NZ)-N-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)hydroxylamine

(NZ)-N-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)hydroxylamine (PubChem CID 135536526) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is (NZ)-N-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)hydroxylamine
PubChem CID135536526
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name(NZ)-N-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)hydroxylamine
SMILESO/N=C1/CCCc2nn(-c3ccccc3)nc21
InChIInChI=1S/C12H12N4O/c17-15-11-8-4-7-10-12(11)14-16(13-10)9-5-2-1-3-6-9/h1-3,5-6,17H,4,7-8H2/b15-11-
InChIKeyOBUYPANMZNFRGC-PTNGSMBKSA-N
XLogP1.78
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)hydroxylamine 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 (NZ)-N-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)hydroxylamine (CID 135536526) is (NZ)-N-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)hydroxylamine is O/N=C1/CCCc2nn(-c3ccccc3)nc21.
What is the InChIKey of (NZ)-N-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)hydroxylamine?
The InChIKey is OBUYPANMZNFRGC-PTNGSMBKSA-N. The full InChI is InChI=1S/C12H12N4O/c17-15-11-8-4-7-10-12(11)14-16(13-10)9-5-2-1-3-6-9/h1-3,5-6,17H,4,7-8H2/b15-11-.
What are the key properties of (NZ)-N-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)hydroxylamine?
(NZ)-N-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)hydroxylamine has a molecular weight of 228.26 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)hydroxylamine is sourced from PubChem (CID 135536526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).