3-N-benzyl-5-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine

C21H25N5 — CID 112959476

IUPAC3-N-benzyl-5-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCc1ccc(C)c(Nc2cnnc(N(Cc3ccccc3)C(C)C)n2)c1
InChIInChI=1S/C21H25N5/c1-15(2)26(14-18-8-6-5-7-9-18)21-24-20(13-22-25-21)23-19-12-16(3)10-11-17(19)4/h5-13,15H,14H2,1-4H3,(H,23,24,25)
InChIKeyNAHHBPIHVMLYMG-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.65
Rot. Bonds6

About 3-N-benzyl-5-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine

3-N-benzyl-5-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112959476) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 3-N-benzyl-5-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-benzyl-5-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
PubChem CID112959476
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name3-N-benzyl-5-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCc1ccc(C)c(Nc2cnnc(N(Cc3ccccc3)C(C)C)n2)c1
InChIInChI=1S/C21H25N5/c1-15(2)26(14-18-8-6-5-7-9-18)21-24-20(13-22-25-21)23-19-12-16(3)10-11-17(19)4/h5-13,15H,14H2,1-4H3,(H,23,24,25)
InChIKeyNAHHBPIHVMLYMG-UHFFFAOYSA-N
XLogP4.65
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N-benzyl-5-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

3-N-benzyl-5-N-(2-methoxy-5-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959508
3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959551
methyl 3-[[3-[benzyl(propan-2-yl)amino]-1,2,4-triazin-5-yl]amino]benzoate
CID 112959522
2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109311637
3-N-benzyl-5-N-[(2-methoxyphenyl)methyl]-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112950773
3-N-benzyl-3-N-ethyl-5-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951760
5-N-(2,4-dimethylphenyl)-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112962462
5-N-(2,5-dimethylphenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine
CID 112959689
5-N-benzyl-3-N-(4-methylphenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959379
2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine
CID 112907142
3-N-benzyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947761
N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955547

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-benzyl-5-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine (CID 112959476) is 3-N-benzyl-5-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-benzyl-5-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-benzyl-5-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine is Cc1ccc(C)c(Nc2cnnc(N(Cc3ccccc3)C(C)C)n2)c1.
What is the InChIKey of 3-N-benzyl-5-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is NAHHBPIHVMLYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-15(2)26(14-18-8-6-5-7-9-18)21-24-20(13-22-25-21)23-19-12-16(3)10-11-17(19)4/h5-13,15H,14H2,1-4H3,(H,23,24,25).
What are the key properties of 3-N-benzyl-5-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
3-N-benzyl-5-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 347.47 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-5-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112959476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).