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

C23H20FN5 — CID 112950148

IUPAC5-N-benzyl-3-N-[(4-fluorophenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESFc1ccc(CNc2nncc(N(Cc3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C23H20FN5/c24-20-13-11-18(12-14-20)15-25-23-27-22(16-26-28-23)29(21-9-5-2-6-10-21)17-19-7-3-1-4-8-19/h1-14,16H,15,17H2,(H,25,27,28)
InChIKeyIKVPRUSCLUBJIY-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.96
Rot. Bonds7

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

5-N-benzyl-3-N-[(4-fluorophenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine (PubChem CID 112950148) has the molecular formula C23H20FN5 and a molecular weight of 385.45 g/mol. Its IUPAC name is 5-N-benzyl-3-N-[(4-fluorophenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-benzyl-3-N-[(4-fluorophenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
PubChem CID112950148
Molecular FormulaC23H20FN5
Molecular Weight385.45 g/mol
Exact Mass385.17
IUPAC Name5-N-benzyl-3-N-[(4-fluorophenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESFc1ccc(CNc2nncc(N(Cc3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C23H20FN5/c24-20-13-11-18(12-14-20)15-25-23-27-22(16-26-28-23)29(21-9-5-2-6-10-21)17-19-7-3-1-4-8-19/h1-14,16H,15,17H2,(H,25,27,28)
InChIKeyIKVPRUSCLUBJIY-UHFFFAOYSA-N
XLogP4.96
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-benzyl-3-N-butyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112940224
5-N-benzyl-3-N-[3-(dimethylamino)propyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112945733
5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961909
5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112948446
3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine
CID 112947736
5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112958395
3-N-benzyl-3-N-ethyl-5-N-[(4-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949867
5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112949922
5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112950941
5-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-3-amine
CID 112950042
5-N-tert-butyl-3-N-[(4-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950065
5-N-benzyl-3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112956388

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-3-N-[(4-fluorophenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-benzyl-3-N-[(4-fluorophenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine (CID 112950148) is 5-N-benzyl-3-N-[(4-fluorophenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-benzyl-3-N-[(4-fluorophenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-benzyl-3-N-[(4-fluorophenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine is Fc1ccc(CNc2nncc(N(Cc3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 5-N-benzyl-3-N-[(4-fluorophenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The InChIKey is IKVPRUSCLUBJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5/c24-20-13-11-18(12-14-20)15-25-23-27-22(16-26-28-23)29(21-9-5-2-6-10-21)17-19-7-3-1-4-8-19/h1-14,16H,15,17H2,(H,25,27,28).
What are the key properties of 5-N-benzyl-3-N-[(4-fluorophenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine?
5-N-benzyl-3-N-[(4-fluorophenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine has a molecular weight of 385.45 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-3-N-[(4-fluorophenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112950148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).