1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine

C12H13FN4 — CID 105490793

IUPAC1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine
SMILESCNC(C)c1nncc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H13FN4/c1-8(14-2)12-16-11(7-15-17-12)9-3-5-10(13)6-4-9/h3-8,14H,1-2H3
InChIKeyPMUKZOQPUYJWFF-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.96
Rot. Bonds3

About 1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine

1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine (PubChem CID 105490793) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine
PubChem CID105490793
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine
SMILESCNC(C)c1nncc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H13FN4/c1-8(14-2)12-16-11(7-15-17-12)9-3-5-10(13)6-4-9/h3-8,14H,1-2H3
InChIKeyPMUKZOQPUYJWFF-UHFFFAOYSA-N
XLogP1.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]propan-1-ol
CID 105492376
5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 25275557
3,5-bis(4-fluorophenyl)pyridazine
CID 11277172
2-chloro-6-(4-fluorophenyl)pyrazine;ethane
CID 178127340
5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine
CID 11022739
3-fluoro-6-(4-fluorophenyl)-2-methylpyridine
CID 46312609
N-(1,3-benzothiazol-2-ylmethyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
CID 45247421
1-(5-fluoro-2H-indazol-3-yl)-N-methylethanamine
CID 83907515
5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one
CID 170311239
3,6-bis(4-fluorophenyl)-N,N-dimethylpyridin-2-amine
CID 71658278
N-methyl-1-(2H-tetrazol-5-yl)ethanamine
CID 50988513
1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine
CID 114420287

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine (CID 105490793) is 1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine is CNC(C)c1nncc(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine?
The InChIKey is PMUKZOQPUYJWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-8(14-2)12-16-11(7-15-17-12)9-3-5-10(13)6-4-9/h3-8,14H,1-2H3.
What are the key properties of 1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine?
1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine has a molecular weight of 232.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine is sourced from PubChem (CID 105490793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).