5-(5-fluoro-2-methoxyphenyl)-N-methoxy-1H-1,2,4-triazol-3-amine

C10H11FN4O2 — CID 156565763

IUPAC5-(5-fluoro-2-methoxyphenyl)-N-methoxy-1H-1,2,4-triazol-3-amine
SMILESCONc1n[nH]c(-c2cc(F)ccc2OC)n1
InChIInChI=1S/C10H11FN4O2/c1-16-8-4-3-6(11)5-7(8)9-12-10(14-13-9)15-17-2/h3-5H,1-2H3,(H2,12,13,14,15)
InChIKeyZOLQNJHPSWLHLP-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.59
Rot. Bonds4

About 5-(5-fluoro-2-methoxyphenyl)-N-methoxy-1H-1,2,4-triazol-3-amine

5-(5-fluoro-2-methoxyphenyl)-N-methoxy-1H-1,2,4-triazol-3-amine (PubChem CID 156565763) has the molecular formula C10H11FN4O2 and a molecular weight of 238.22 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxyphenyl)-N-methoxy-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxyphenyl)-N-methoxy-1H-1,2,4-triazol-3-amine
PubChem CID156565763
Molecular FormulaC10H11FN4O2
Molecular Weight238.22 g/mol
Exact Mass238.09
IUPAC Name5-(5-fluoro-2-methoxyphenyl)-N-methoxy-1H-1,2,4-triazol-3-amine
SMILESCONc1n[nH]c(-c2cc(F)ccc2OC)n1
InChIInChI=1S/C10H11FN4O2/c1-16-8-4-3-6(11)5-7(8)9-12-10(14-13-9)15-17-2/h3-5H,1-2H3,(H2,12,13,14,15)
InChIKeyZOLQNJHPSWLHLP-UHFFFAOYSA-N
XLogP1.59
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(5-fluoro-2-methoxyphenyl)-N-methoxy-1H-1,2,4-triazol-3-amine 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

2-(5-fluoro-2-methoxyphenyl)-1H-imidazole
CID 55254368
5-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 169499779
5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358
4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 55646276
4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one
CID 136769276
5-(5-chloro-2-methoxyphenyl)-3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 7982231
(E)-N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 60613312
2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82297374
1-[4-(5-fluoro-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901449
5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 82083321
6-(5-fluoro-2-methoxyphenyl)pyridin-2-amine
CID 61026023
4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole
CID 4984858

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-N-methoxy-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-N-methoxy-1H-1,2,4-triazol-3-amine (CID 156565763) is 5-(5-fluoro-2-methoxyphenyl)-N-methoxy-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(5-fluoro-2-methoxyphenyl)-N-methoxy-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(5-fluoro-2-methoxyphenyl)-N-methoxy-1H-1,2,4-triazol-3-amine is CONc1n[nH]c(-c2cc(F)ccc2OC)n1.
What is the InChIKey of 5-(5-fluoro-2-methoxyphenyl)-N-methoxy-1H-1,2,4-triazol-3-amine?
The InChIKey is ZOLQNJHPSWLHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2/c1-16-8-4-3-6(11)5-7(8)9-12-10(14-13-9)15-17-2/h3-5H,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-(5-fluoro-2-methoxyphenyl)-N-methoxy-1H-1,2,4-triazol-3-amine?
5-(5-fluoro-2-methoxyphenyl)-N-methoxy-1H-1,2,4-triazol-3-amine has a molecular weight of 238.22 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxyphenyl)-N-methoxy-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 156565763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).