(NZ)-N-[(7E)-7-hydroxyimino-2-phenyl-5,6-dihydrobenzotriazol-4-ylidene]hydroxylamine

C12H11N5O2 — CID 135449188

IUPAC(NZ)-N-[(7E)-7-hydroxyimino-2-phenyl-5,6-dihydrobenzotriazol-4-ylidene]hydroxylamine
SMILESO/N=C1/CC/C(=N\O)c2nn(-c3ccccc3)nc21
InChIInChI=1S/C12H11N5O2/c18-15-9-6-7-10(16-19)12-11(9)13-17(14-12)8-4-2-1-3-5-8/h1-5,18-19H,6-7H2/b15-9-,16-10+
InChIKeyISMAEHNPPOOFBE-CKOAPEAFSA-N
MW257.25 g/mol
LogP1.42
Rot. Bonds1

About (NZ)-N-[(7E)-7-hydroxyimino-2-phenyl-5,6-dihydrobenzotriazol-4-ylidene]hydroxylamine

(NZ)-N-[(7E)-7-hydroxyimino-2-phenyl-5,6-dihydrobenzotriazol-4-ylidene]hydroxylamine (PubChem CID 135449188) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is (NZ)-N-[(7E)-7-hydroxyimino-2-phenyl-5,6-dihydrobenzotriazol-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(7E)-7-hydroxyimino-2-phenyl-5,6-dihydrobenzotriazol-4-ylidene]hydroxylamine
PubChem CID135449188
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name(NZ)-N-[(7E)-7-hydroxyimino-2-phenyl-5,6-dihydrobenzotriazol-4-ylidene]hydroxylamine
SMILESO/N=C1/CC/C(=N\O)c2nn(-c3ccccc3)nc21
InChIInChI=1S/C12H11N5O2/c18-15-9-6-7-10(16-19)12-11(9)13-17(14-12)8-4-2-1-3-5-8/h1-5,18-19H,6-7H2/b15-9-,16-10+
InChIKeyISMAEHNPPOOFBE-CKOAPEAFSA-N
XLogP1.42
TPSA95.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(7E)-7-hydroxyimino-2-phenyl-5,6-dihydrobenzotriazol-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(7E)-7-hydroxyimino-2-phenyl-5,6-dihydrobenzotriazol-4-ylidene]hydroxylamine (CID 135449188) is (NZ)-N-[(7E)-7-hydroxyimino-2-phenyl-5,6-dihydrobenzotriazol-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(7E)-7-hydroxyimino-2-phenyl-5,6-dihydrobenzotriazol-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(7E)-7-hydroxyimino-2-phenyl-5,6-dihydrobenzotriazol-4-ylidene]hydroxylamine is O/N=C1/CC/C(=N\O)c2nn(-c3ccccc3)nc21.
What is the InChIKey of (NZ)-N-[(7E)-7-hydroxyimino-2-phenyl-5,6-dihydrobenzotriazol-4-ylidene]hydroxylamine?
The InChIKey is ISMAEHNPPOOFBE-CKOAPEAFSA-N. The full InChI is InChI=1S/C12H11N5O2/c18-15-9-6-7-10(16-19)12-11(9)13-17(14-12)8-4-2-1-3-5-8/h1-5,18-19H,6-7H2/b15-9-,16-10+.
What are the key properties of (NZ)-N-[(7E)-7-hydroxyimino-2-phenyl-5,6-dihydrobenzotriazol-4-ylidene]hydroxylamine?
(NZ)-N-[(7E)-7-hydroxyimino-2-phenyl-5,6-dihydrobenzotriazol-4-ylidene]hydroxylamine has a molecular weight of 257.25 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(7E)-7-hydroxyimino-2-phenyl-5,6-dihydrobenzotriazol-4-ylidene]hydroxylamine is sourced from PubChem (CID 135449188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).