5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine

C24H23N5O — CID 112949336

IUPAC5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCN(Cc1ccccc1)c1cnnc(Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C24H23N5O/c1-29(17-19-8-4-2-5-9-19)23-16-25-28-24(27-23)26-21-12-14-22(15-13-21)30-18-20-10-6-3-7-11-20/h2-16H,17-18H2,1H3,(H,26,27,28)
InChIKeyLWKCXEAYQQSTND-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.83
Rot. Bonds8

About 5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine

5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112949336) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112949336
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCN(Cc1ccccc1)c1cnnc(Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C24H23N5O/c1-29(17-19-8-4-2-5-9-19)23-16-25-28-24(27-23)26-21-12-14-22(15-13-21)30-18-20-10-6-3-7-11-20/h2-16H,17-18H2,1H3,(H,26,27,28)
InChIKeyLWKCXEAYQQSTND-UHFFFAOYSA-N
XLogP4.83
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-benzyl-5-N-methyl-3-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112949333
3-N-(1,3-benzodioxol-5-yl)-5-N-benzyl-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949343
5-N-benzyl-3-N-(2-ethylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949278
3-N-tert-butyl-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959095
5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine
CID 112942710
5-N-benzyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959376
5-N-benzyl-5-N-ethyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951598
3-N-benzyl-5-N-(4-methoxyphenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949471
3-N-(3-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112969058
5-N-benzyl-3-N-(4-bromophenyl)-5-N-ethyl-1,2,4-triazine-3,5-diamine
CID 112951632
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-(4-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949296

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine (CID 112949336) is 5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine is CN(Cc1ccccc1)c1cnnc(Nc2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is LWKCXEAYQQSTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-29(17-19-8-4-2-5-9-19)23-16-25-28-24(27-23)26-21-12-14-22(15-13-21)30-18-20-10-6-3-7-11-20/h2-16H,17-18H2,1H3,(H,26,27,28).
What are the key properties of 5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine?
5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 397.48 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112949336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).