5-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine

C22H19N5O — CID 112962028

IUPAC5-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cccc(Nc2cnnc(Nc3ccccc3Oc3ccccc3)n2)c1
InChIInChI=1S/C22H19N5O/c1-16-8-7-9-17(14-16)24-21-15-23-27-22(26-21)25-19-12-5-6-13-20(19)28-18-10-3-2-4-11-18/h2-15H,1H3,(H2,24,25,26,27)
InChIKeyIPTFNSGUQYYIPZ-UHFFFAOYSA-N
MW369.43 g/mol
LogP5.46
Rot. Bonds6

About 5-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine

5-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112962028) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112962028
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name5-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cccc(Nc2cnnc(Nc3ccccc3Oc3ccccc3)n2)c1
InChIInChI=1S/C22H19N5O/c1-16-8-7-9-17(14-16)24-21-15-23-27-22(26-21)25-19-12-5-6-13-20(19)28-18-10-3-2-4-11-18/h2-15H,1H3,(H2,24,25,26,27)
InChIKeyIPTFNSGUQYYIPZ-UHFFFAOYSA-N
XLogP5.46
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.43
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(2-methoxyphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967105
5-N-(3-methylphenyl)-3-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112961990
3-N-(2,5-dimethylphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112963240
5-N-(4-tert-butylphenyl)-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962070
5-N-(3-methoxyphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964700
4-[[5-(3-methylanilino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112962044
5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938979
3-N-(3,4-dimethoxyphenyl)-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967069
5-N-(3,4-dimethoxyphenyl)-3-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967269
3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967203
5-N-(3-methylphenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952987
6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926974

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine (CID 112962028) is 5-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine is Cc1cccc(Nc2cnnc(Nc3ccccc3Oc3ccccc3)n2)c1.
What is the InChIKey of 5-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is IPTFNSGUQYYIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-16-8-7-9-17(14-16)24-21-15-23-27-22(26-21)25-19-12-5-6-13-20(19)28-18-10-3-2-4-11-18/h2-15H,1H3,(H2,24,25,26,27).
What are the key properties of 5-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine?
5-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 369.43 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112962028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).