5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine

C20H23N5 — CID 112959380

IUPAC5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)N(Cc1ccccc1)c1cnnc(N(C)c2ccccc2)n1
InChIInChI=1S/C20H23N5/c1-16(2)25(15-17-10-6-4-7-11-17)19-14-21-23-20(22-19)24(3)18-12-8-5-9-13-18/h4-14,16H,15H2,1-3H3
InChIKeyGAFNKKFFVKAUTH-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.05
Rot. Bonds6

About 5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine

5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112959380) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
PubChem CID112959380
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)N(Cc1ccccc1)c1cnnc(N(C)c2ccccc2)n1
InChIInChI=1S/C20H23N5/c1-16(2)25(15-17-10-6-4-7-11-17)19-14-21-23-20(22-19)24(3)18-12-8-5-9-13-18/h4-14,16H,15H2,1-3H3
InChIKeyGAFNKKFFVKAUTH-UHFFFAOYSA-N
XLogP4.05
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine with MolForge

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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-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959376
2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112891002
5-N-benzyl-3-N-(4-methylphenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959379
5-N-benzyl-3-N-(2,6-difluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959457
5-N-benzyl-3-N-(2-fluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959398
5-N-benzyl-3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112956388
5-N-benzyl-3-N-(3,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959444
5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112958395
2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112891014
2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine
CID 80754126
N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine
CID 55065278

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine (CID 112959380) is 5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine is CC(C)N(Cc1ccccc1)c1cnnc(N(C)c2ccccc2)n1.
What is the InChIKey of 5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is GAFNKKFFVKAUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-16(2)25(15-17-10-6-4-7-11-17)19-14-21-23-20(22-19)24(3)18-12-8-5-9-13-18/h4-14,16H,15H2,1-3H3.
What are the key properties of 5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 333.44 g/mol, XLogP of 4.05, 6 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-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112959380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).