(NZ)-N-[3-fluoro-2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine

C7H11FN4O — CID 20528264

IUPAC(NZ)-N-[3-fluoro-2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine
SMILESCC(C)(CF)/C(=N/O)n1cncn1
InChIInChI=1S/C7H11FN4O/c1-7(2,3-8)6(11-13)12-5-9-4-10-12/h4-5,13H,3H2,1-2H3/b11-6-
InChIKeyAFYSJPCSTVRHBE-WDZFZDKYSA-N
MW186.19 g/mol
LogP0.91
Rot. Bonds2

About (NZ)-N-[3-fluoro-2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine

(NZ)-N-[3-fluoro-2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine (PubChem CID 20528264) has the molecular formula C7H11FN4O and a molecular weight of 186.19 g/mol. Its IUPAC name is (NZ)-N-[3-fluoro-2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[3-fluoro-2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine
PubChem CID20528264
Molecular FormulaC7H11FN4O
Molecular Weight186.19 g/mol
Exact Mass186.09
IUPAC Name(NZ)-N-[3-fluoro-2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine
SMILESCC(C)(CF)/C(=N/O)n1cncn1
InChIInChI=1S/C7H11FN4O/c1-7(2,3-8)6(11-13)12-5-9-4-10-12/h4-5,13H,3H2,1-2H3/b11-6-
InChIKeyAFYSJPCSTVRHBE-WDZFZDKYSA-N
XLogP0.91
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-[3-fluoro-2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]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-[3-fluoro-2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[3-fluoro-2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine (CID 20528264) is (NZ)-N-[3-fluoro-2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[3-fluoro-2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[3-fluoro-2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine is CC(C)(CF)/C(=N/O)n1cncn1.
What is the InChIKey of (NZ)-N-[3-fluoro-2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine?
The InChIKey is AFYSJPCSTVRHBE-WDZFZDKYSA-N. The full InChI is InChI=1S/C7H11FN4O/c1-7(2,3-8)6(11-13)12-5-9-4-10-12/h4-5,13H,3H2,1-2H3/b11-6-.
What are the key properties of (NZ)-N-[3-fluoro-2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine?
(NZ)-N-[3-fluoro-2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine has a molecular weight of 186.19 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-fluoro-2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine is sourced from PubChem (CID 20528264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).