5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine

C20H23N5 — CID 112958395

IUPAC5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCCN(CC)c1nncc(N(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H23N5/c1-3-24(4-2)20-22-19(15-21-23-20)25(18-13-9-6-10-14-18)16-17-11-7-5-8-12-17/h5-15H,3-4,16H2,1-2H3
InChIKeyMCPJDTOMYPNSOF-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.06
Rot. Bonds7

About 5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine

5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine (PubChem CID 112958395) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
PubChem CID112958395
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCCN(CC)c1nncc(N(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H23N5/c1-3-24(4-2)20-22-19(15-21-23-20)25(18-13-9-6-10-14-18)16-17-11-7-5-8-12-17/h5-15H,3-4,16H2,1-2H3
InChIKeyMCPJDTOMYPNSOF-UHFFFAOYSA-N
XLogP4.06
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-N-benzyl-3-N,3-N-diethyl-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,5-N-diethyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112958205
5-N-benzyl-3-N-butyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112940224
5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961909
N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112946090
5-N-benzyl-3-N-[3-(dimethylamino)propyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112945733
N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942585
5-N-benzyl-3-N-[(4-fluorophenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112950148
5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959380
N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112946145
N-benzyl-3-(2,3-dihydroindol-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112962725
3-N-benzyl-5-N-(2-ethoxyphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112967482
N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112951722

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine (CID 112958395) is 5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine is CCN(CC)c1nncc(N(Cc2ccccc2)c2ccccc2)n1.
What is the InChIKey of 5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The InChIKey is MCPJDTOMYPNSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-3-24(4-2)20-22-19(15-21-23-20)25(18-13-9-6-10-14-18)16-17-11-7-5-8-12-17/h5-15H,3-4,16H2,1-2H3.
What are the key properties of 5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine?
5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine has a molecular weight of 333.44 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112958395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).