3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine

C12H12ClFN4 — CID 55140097

IUPAC3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine
SMILESCC(c1ccccc1F)N(C)c1cnnc(Cl)n1
InChIInChI=1S/C12H12ClFN4/c1-8(9-5-3-4-6-10(9)14)18(2)11-7-15-17-12(13)16-11/h3-8H,1-2H3
InChIKeyWBELDQDLDPWRPP-UHFFFAOYSA-N
MW266.71 g/mol
LogP2.86
Rot. Bonds3

About 3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine

3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine (PubChem CID 55140097) has the molecular formula C12H12ClFN4 and a molecular weight of 266.71 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine
PubChem CID55140097
Molecular FormulaC12H12ClFN4
Molecular Weight266.71 g/mol
Exact Mass266.07
IUPAC Name3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine
SMILESCC(c1ccccc1F)N(C)c1cnnc(Cl)n1
InChIInChI=1S/C12H12ClFN4/c1-8(9-5-3-4-6-10(9)14)18(2)11-7-15-17-12(13)16-11/h3-8H,1-2H3
InChIKeyWBELDQDLDPWRPP-UHFFFAOYSA-N
XLogP2.86
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 55140098
4-chloro-N-[1-(2-fluorophenyl)ethyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62983717
5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62983613
4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 83157199
6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine
CID 63729056
[6-[1-(2-fluorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 62984853
6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide
CID 64595166
4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80808525
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine
CID 105367909
4-chloro-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 62980215
4-chloro-2-N-[1-(2-fluorophenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468939
4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine
CID 55209659

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine (CID 55140097) is 3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine is CC(c1ccccc1F)N(C)c1cnnc(Cl)n1.
What is the InChIKey of 3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine?
The InChIKey is WBELDQDLDPWRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4/c1-8(9-5-3-4-6-10(9)14)18(2)11-7-15-17-12(13)16-11/h3-8H,1-2H3.
What are the key properties of 3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine?
3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine has a molecular weight of 266.71 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 55140097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).