N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine

C14H17FN4 — CID 114448724

IUPACN-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1ccc(C(C)Nc2nnc(C)c(C)n2)cc1F
InChIInChI=1S/C14H17FN4/c1-8-5-6-12(7-13(8)15)11(4)17-14-16-9(2)10(3)18-19-14/h5-7,11H,1-4H3,(H,16,17,19)
InChIKeyRLZJSWVEJNTSDB-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.11
Rot. Bonds3

About N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine

N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 114448724) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID114448724
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC NameN-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1ccc(C(C)Nc2nnc(C)c(C)n2)cc1F
InChIInChI=1S/C14H17FN4/c1-8-5-6-12(7-13(8)15)11(4)17-14-16-9(2)10(3)18-19-14/h5-7,11H,1-4H3,(H,16,17,19)
InChIKeyRLZJSWVEJNTSDB-UHFFFAOYSA-N
XLogP3.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine
CID 105362742
2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 107643680
4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80852541
2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 80838128
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80839673
3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine
CID 112675991
5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80926777
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260425
5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine
CID 113424172
N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline
CID 43110873
2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 145113474

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine (CID 114448724) is N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine is Cc1ccc(C(C)Nc2nnc(C)c(C)n2)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is RLZJSWVEJNTSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-8-5-6-12(7-13(8)15)11(4)17-14-16-9(2)10(3)18-19-14/h5-7,11H,1-4H3,(H,16,17,19).
What are the key properties of N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 260.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 114448724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).