5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine

C16H14FN5O — CID 112965548

IUPAC5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccccc1Nc1nncc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C16H14FN5O/c1-23-14-5-3-2-4-13(14)20-16-21-15(10-18-22-16)19-12-8-6-11(17)7-9-12/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyMFKCRKIACZNHNS-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.51
Rot. Bonds5

About 5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine

5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112965548) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112965548
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccccc1Nc1nncc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C16H14FN5O/c1-23-14-5-3-2-4-13(14)20-16-21-15(10-18-22-16)19-12-8-6-11(17)7-9-12/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyMFKCRKIACZNHNS-UHFFFAOYSA-N
XLogP3.51
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961865
3-N-(3,4-dimethoxyphenyl)-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967069
3-N-(2-chlorophenyl)-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112965783
5-N-(2-methoxyphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967105
3-N-(4-fluorophenyl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961761
5-N-(2-methoxyphenyl)-3-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967104
5-N-(3,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961889
3-N-(2-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964908
3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962174
3-N-(2,4-dichlorophenyl)-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967110
3-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967106
5-N-(4-tert-butylphenyl)-3-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112965281

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine (CID 112965548) is 5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine is COc1ccccc1Nc1nncc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is MFKCRKIACZNHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-23-14-5-3-2-4-13(14)20-16-21-15(10-18-22-16)19-12-8-6-11(17)7-9-12/h2-10H,1H3,(H2,19,20,21,22).
What are the key properties of 5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 311.32 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112965548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).