(NE)-N-[[2-(2-fluorophenyl)triazol-4-yl]methylidene]hydroxylamine

C9H7FN4O — CID 135746863

IUPAC(NE)-N-[[2-(2-fluorophenyl)triazol-4-yl]methylidene]hydroxylamine
SMILESO/N=C/c1cnn(-c2ccccc2F)n1
InChIInChI=1S/C9H7FN4O/c10-8-3-1-2-4-9(8)14-11-5-7(13-14)6-12-15/h1-6,15H/b12-6+
InChIKeyRTGGHLHMGFBVKU-WUXMJOGZSA-N
MW206.18 g/mol
LogP1.21
Rot. Bonds2

About (NE)-N-[[2-(2-fluorophenyl)triazol-4-yl]methylidene]hydroxylamine

(NE)-N-[[2-(2-fluorophenyl)triazol-4-yl]methylidene]hydroxylamine (PubChem CID 135746863) has the molecular formula C9H7FN4O and a molecular weight of 206.18 g/mol. Its IUPAC name is (NE)-N-[[2-(2-fluorophenyl)triazol-4-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-(2-fluorophenyl)triazol-4-yl]methylidene]hydroxylamine
PubChem CID135746863
Molecular FormulaC9H7FN4O
Molecular Weight206.18 g/mol
Exact Mass206.06
IUPAC Name(NE)-N-[[2-(2-fluorophenyl)triazol-4-yl]methylidene]hydroxylamine
SMILESO/N=C/c1cnn(-c2ccccc2F)n1
InChIInChI=1S/C9H7FN4O/c10-8-3-1-2-4-9(8)14-11-5-7(13-14)6-12-15/h1-6,15H/b12-6+
InChIKeyRTGGHLHMGFBVKU-WUXMJOGZSA-N
XLogP1.21
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.21
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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[2-(2-fluorophenyl)triazol-4-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-(2-fluorophenyl)triazol-4-yl]methylidene]hydroxylamine (CID 135746863) is (NE)-N-[[2-(2-fluorophenyl)triazol-4-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-(2-fluorophenyl)triazol-4-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-(2-fluorophenyl)triazol-4-yl]methylidene]hydroxylamine is O/N=C/c1cnn(-c2ccccc2F)n1.
What is the InChIKey of (NE)-N-[[2-(2-fluorophenyl)triazol-4-yl]methylidene]hydroxylamine?
The InChIKey is RTGGHLHMGFBVKU-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H7FN4O/c10-8-3-1-2-4-9(8)14-11-5-7(13-14)6-12-15/h1-6,15H/b12-6+.
What are the key properties of (NE)-N-[[2-(2-fluorophenyl)triazol-4-yl]methylidene]hydroxylamine?
(NE)-N-[[2-(2-fluorophenyl)triazol-4-yl]methylidene]hydroxylamine has a molecular weight of 206.18 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-(2-fluorophenyl)triazol-4-yl]methylidene]hydroxylamine is sourced from PubChem (CID 135746863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).