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

C23H21N5 — CID 112961909

IUPAC5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCc1ccccc1Nc1nncc(N(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C23H21N5/c1-18-10-8-9-15-21(18)25-23-26-22(16-24-27-23)28(20-13-6-3-7-14-20)17-19-11-4-2-5-12-19/h2-16H,17H2,1H3,(H,25,26,27)
InChIKeyDQJHAGUSYLOAJA-UHFFFAOYSA-N
MW367.46 g/mol
LogP5.26
Rot. Bonds6

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

5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine (PubChem CID 112961909) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
PubChem CID112961909
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCc1ccccc1Nc1nncc(N(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C23H21N5/c1-18-10-8-9-15-21(18)25-23-26-22(16-24-27-23)28(20-13-6-3-7-14-20)17-19-11-4-2-5-12-19/h2-16H,17H2,1H3,(H,25,26,27)
InChIKeyDQJHAGUSYLOAJA-UHFFFAOYSA-N
XLogP5.26
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[(4-fluorophenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112950148
5-N-benzyl-3-N-(2-ethylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949278
5-N-benzyl-3-N-(4-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949296
5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112964348
5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112958395
4-N-benzyl-4-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112918908
5-N-benzyl-3-N-(2-fluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959398
4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112903480
4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112908809
5-N-benzyl-5-N-ethyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951614

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine (CID 112961909) is 5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine is Cc1ccccc1Nc1nncc(N(Cc2ccccc2)c2ccccc2)n1.
What is the InChIKey of 5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The InChIKey is DQJHAGUSYLOAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-18-10-8-9-15-21(18)25-23-26-22(16-24-27-23)28(20-13-6-3-7-14-20)17-19-11-4-2-5-12-19/h2-16H,17H2,1H3,(H,25,26,27).
What are the key properties of 5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine?
5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine has a molecular weight of 367.46 g/mol, XLogP of 5.26, 6 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-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112961909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).