5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine

C17H16FN5 — CID 112949922

IUPAC5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCN(c1ccccc1)c1nncc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN5/c1-23(15-5-3-2-4-6-15)17-21-16(12-20-22-17)19-11-13-7-9-14(18)10-8-13/h2-10,12H,11H2,1H3,(H,19,21,22)
InChIKeyWAJGWXJUKBHYFU-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.39
Rot. Bonds5

About 5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine

5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine (PubChem CID 112949922) has the molecular formula C17H16FN5 and a molecular weight of 309.35 g/mol. Its IUPAC name is 5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
PubChem CID112949922
Molecular FormulaC17H16FN5
Molecular Weight309.35 g/mol
Exact Mass309.14
IUPAC Name5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCN(c1ccccc1)c1nncc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN5/c1-23(15-5-3-2-4-6-15)17-21-16(12-20-22-17)19-11-13-7-9-14(18)10-8-13/h2-10,12H,11H2,1H3,(H,19,21,22)
InChIKeyWAJGWXJUKBHYFU-UHFFFAOYSA-N
XLogP3.39
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

3-N-benzyl-3-N-ethyl-5-N-[(4-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949867
5-N-[2-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112956125
5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112958907
3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949376
5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112947577
5-N-[(4-fluorophenyl)methyl]-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949865
5-N-[(4-fluorophenyl)methyl]-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938520
3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961740
5-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112949963
5-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112962547
2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112937366
5-N-[3-(dimethylamino)propyl]-3-N-[(4-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112945429

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine (CID 112949922) is 5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine is CN(c1ccccc1)c1nncc(NCc2ccc(F)cc2)n1.
What is the InChIKey of 5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The InChIKey is WAJGWXJUKBHYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5/c1-23(15-5-3-2-4-6-15)17-21-16(12-20-22-17)19-11-13-7-9-14(18)10-8-13/h2-10,12H,11H2,1H3,(H,19,21,22).
What are the key properties of 5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine?
5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine has a molecular weight of 309.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112949922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).