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

C16H14FN5 — CID 112962174

IUPAC3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccc(Nc2cnnc(Nc3ccccc3F)n2)cc1
InChIInChI=1S/C16H14FN5/c1-11-6-8-12(9-7-11)19-15-10-18-22-16(21-15)20-14-5-3-2-4-13(14)17/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyPFCBWQRUOYEBSR-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.81
Rot. Bonds4

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

3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112962174) has the molecular formula C16H14FN5 and a molecular weight of 295.32 g/mol. Its IUPAC name is 3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112962174
Molecular FormulaC16H14FN5
Molecular Weight295.32 g/mol
Exact Mass295.12
IUPAC Name3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccc(Nc2cnnc(Nc3ccccc3F)n2)cc1
InChIInChI=1S/C16H14FN5/c1-11-6-8-12(9-7-11)19-15-10-18-22-16(21-15)20-14-5-3-2-4-13(14)17/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyPFCBWQRUOYEBSR-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

5-N-(2,6-difluorophenyl)-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962355
5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961865
3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112965499
5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965455
5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965507
N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112965483
5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112965548
5-N-(2-fluorophenyl)-3-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112965397
3-N-(4-fluorophenyl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961761
5-N-(4-methylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962217
5-N-(2-fluorophenyl)-3-N-(4-piperidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112965412
5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965518

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine (CID 112962174) is 3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine is Cc1ccc(Nc2cnnc(Nc3ccccc3F)n2)cc1.
What is the InChIKey of 3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is PFCBWQRUOYEBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5/c1-11-6-8-12(9-7-11)19-15-10-18-22-16(21-15)20-14-5-3-2-4-13(14)17/h2-10H,1H3,(H2,19,20,21,22).
What are the key properties of 3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine?
3-N-(2-fluorophenyl)-5-N-(4-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 3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112962174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).