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

C10H9FN4O — CID 82392808

IUPAC5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1ccc(F)cc1-c1cnnc(N)n1
InChIInChI=1S/C10H9FN4O/c1-16-9-3-2-6(11)4-7(9)8-5-13-15-10(12)14-8/h2-5H,1H3,(H2,12,14,15)
InChIKeyAAHRPQVCLLYITH-UHFFFAOYSA-N
MW220.21 g/mol
LogP1.27
Rot. Bonds2

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

5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 82392808) has the molecular formula C10H9FN4O and a molecular weight of 220.21 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID82392808
Molecular FormulaC10H9FN4O
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Name5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1ccc(F)cc1-c1cnnc(N)n1
InChIInChI=1S/C10H9FN4O/c1-16-9-3-2-6(11)4-7(9)8-5-13-15-10(12)14-8/h2-5H,1H3,(H2,12,14,15)
InChIKeyAAHRPQVCLLYITH-UHFFFAOYSA-N
XLogP1.27
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563356
6-(5-fluoro-2-methoxyphenyl)pyridin-2-amine
CID 61026023
4-(5-fluoro-2-methoxyphenyl)imidazole-1,2-diamine
CID 82286848
4-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 70663373
4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine
CID 68776540
5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine
CID 96667856
N-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide
CID 82483873
5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 82083321
4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole
CID 4984858
4-(5-fluoro-2-methoxyphenyl)pyrimidine
CID 141365926
4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline
CID 104781195
N-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine
CID 166379526

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine (CID 82392808) is 5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine is COc1ccc(F)cc1-c1cnnc(N)n1.
What is the InChIKey of 5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is AAHRPQVCLLYITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O/c1-16-9-3-2-6(11)4-7(9)8-5-13-15-10(12)14-8/h2-5H,1H3,(H2,12,14,15).
What are the key properties of 5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine?
5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 220.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 82392808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).