5-N-methyl-5-N-phenyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine

C19H21N5 — CID 112962373

IUPAC5-N-methyl-5-N-phenyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cc(C)c(Nc2nncc(N(C)c3ccccc3)n2)c(C)c1
InChIInChI=1S/C19H21N5/c1-13-10-14(2)18(15(3)11-13)22-19-21-17(12-20-23-19)24(4)16-8-6-5-7-9-16/h5-12H,1-4H3,(H,21,22,23)
InChIKeyWGHLKBCTNBGNHL-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.31
Rot. Bonds4

About 5-N-methyl-5-N-phenyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine

5-N-methyl-5-N-phenyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112962373) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-N-methyl-5-N-phenyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-phenyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112962373
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name5-N-methyl-5-N-phenyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cc(C)c(Nc2nncc(N(C)c3ccccc3)n2)c(C)c1
InChIInChI=1S/C19H21N5/c1-13-10-14(2)18(15(3)11-13)22-19-21-17(12-20-23-19)24(4)16-8-6-5-7-9-16/h5-12H,1-4H3,(H,21,22,23)
InChIKeyWGHLKBCTNBGNHL-UHFFFAOYSA-N
XLogP4.31
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-benzyl-5-N-ethyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951614
3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112962383
N-[4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112962410
methyl 4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112962413
3-N-(5-chloro-2-methoxyphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112962390
3-N-(2-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964908
2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 19754221
5-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951910
5-N-[3-(dimethylamino)propyl]-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112945506
5-N-(2,4-dimethylphenyl)-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112962462
2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112927480
3-N-(2-ethoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964911

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-phenyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-phenyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine (CID 112962373) is 5-N-methyl-5-N-phenyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-phenyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-phenyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine is Cc1cc(C)c(Nc2nncc(N(C)c3ccccc3)n2)c(C)c1.
What is the InChIKey of 5-N-methyl-5-N-phenyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is WGHLKBCTNBGNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-13-10-14(2)18(15(3)11-13)22-19-21-17(12-20-23-19)24(4)16-8-6-5-7-9-16/h5-12H,1-4H3,(H,21,22,23).
What are the key properties of 5-N-methyl-5-N-phenyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine?
5-N-methyl-5-N-phenyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 319.41 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-phenyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112962373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).