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

C16H14FN5 — CID 112961865

IUPAC5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccccc1Nc1nncc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C16H14FN5/c1-11-4-2-3-5-14(11)20-16-21-15(10-18-22-16)19-13-8-6-12(17)7-9-13/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyMJBXMANDCPWLMR-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.81
Rot. Bonds4

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

5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112961865) has the molecular formula C16H14FN5 and a molecular weight of 295.32 g/mol. Its IUPAC name is 5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112961865
Molecular FormulaC16H14FN5
Molecular Weight295.32 g/mol
Exact Mass295.12
IUPAC Name5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccccc1Nc1nncc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C16H14FN5/c1-11-4-2-3-5-14(11)20-16-21-15(10-18-22-16)19-13-8-6-12(17)7-9-13/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyMJBXMANDCPWLMR-UHFFFAOYSA-N
XLogP3.81
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(4-fluorophenyl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961761
5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112965548
3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962174
5-N-(3,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961889
5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961753
N-[3-[[3-(2-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112961895
5-N-(3-chloro-2-methylphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961869
5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112939002
3-N-(2,3-dimethylphenyl)-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963302
3-N-(4-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112965641
3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961841
3-N-(5-chloro-2-methylphenyl)-5-N-(4-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965997

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine (CID 112961865) is 5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine is Cc1ccccc1Nc1nncc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is MJBXMANDCPWLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5/c1-11-4-2-3-5-14(11)20-16-21-15(10-18-22-16)19-13-8-6-12(17)7-9-13/h2-10H,1H3,(H2,19,20,21,22).
What are the key properties of 5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine?
5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 295.32 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112961865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).