5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine

C20H23N5O — CID 112964348

IUPAC5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCN(c1ccccc1)c1cnnc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C20H23N5O/c1-4-25(16-10-6-5-7-11-16)19-14-21-24-20(23-19)22-17-12-8-9-13-18(17)26-15(2)3/h5-15H,4H2,1-3H3,(H,22,23,24)
InChIKeyHLORFJQNJIQXLU-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.56
Rot. Bonds7

About 5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine

5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112964348) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112964348
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCN(c1ccccc1)c1cnnc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C20H23N5O/c1-4-25(16-10-6-5-7-11-16)19-14-21-24-20(23-19)22-17-12-8-9-13-18(17)26-15(2)3/h5-15H,4H2,1-3H3,(H,22,23,24)
InChIKeyHLORFJQNJIQXLU-UHFFFAOYSA-N
XLogP4.56
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112902915
3-N-(2-ethoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112967560
5-N-ethyl-3-N-(3-methoxyphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112964343
5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112950941
4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928779
2-N-(2-ethoxyphenyl)-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928782
3-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112964389
5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961909
3-N-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112945679
3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112942468
5-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112949963
3-N-(4-chloro-2,5-dimethoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112969630

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine (CID 112964348) is 5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine is CCN(c1ccccc1)c1cnnc(Nc2ccccc2OC(C)C)n1.
What is the InChIKey of 5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is HLORFJQNJIQXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-4-25(16-10-6-5-7-11-16)19-14-21-24-20(23-19)22-17-12-8-9-13-18(17)26-15(2)3/h5-15H,4H2,1-3H3,(H,22,23,24).
What are the key properties of 5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine?
5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 349.44 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112964348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).