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

C9H9FN4O — CID 81283303

IUPAC5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-amine
SMILESCOc1cc(-c2nc(N)n[nH]2)ccc1F
InChIInChI=1S/C9H9FN4O/c1-15-7-4-5(2-3-6(7)10)8-12-9(11)14-13-8/h2-4H,1H3,(H3,11,12,13,14)
InChIKeyZEHMHBWCCLHBAW-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.20
Rot. Bonds2

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

5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 81283303) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-amine
PubChem CID81283303
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-amine
SMILESCOc1cc(-c2nc(N)n[nH]2)ccc1F
InChIInChI=1S/C9H9FN4O/c1-15-7-4-5(2-3-6(7)10)8-12-9(11)14-13-8/h2-4H,1H3,(H3,11,12,13,14)
InChIKeyZEHMHBWCCLHBAW-UHFFFAOYSA-N
XLogP1.20
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-amino-4-fluorophenyl)-1H-1,2,4-triazol-3-amine
CID 61319952
1-[5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793841
5-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 169499779
5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride
CID 2858656
3-[3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 107923108
5-(4-fluoro-3-methoxyphenyl)-1H-pyrazole
CID 70662601
5-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazole
CID 671837
5-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 106818724
2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
CID 107922532
5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine
CID 62516530
2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136938664
2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136889657

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-amine (CID 81283303) is 5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-amine is COc1cc(-c2nc(N)n[nH]2)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is ZEHMHBWCCLHBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c1-15-7-4-5(2-3-6(7)10)8-12-9(11)14-13-8/h2-4H,1H3,(H3,11,12,13,14).
What are the key properties of 5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-amine?
5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 208.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 81283303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).