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

C19H21N5O — CID 112964908

IUPAC3-N-(2-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccccc1Nc1nncc(Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C19H21N5O/c1-12-9-13(2)18(14(3)10-12)22-17-11-20-24-19(23-17)21-15-7-5-6-8-16(15)25-4/h5-11H,1-4H3,(H2,21,22,23,24)
InChIKeyLNIPKBKYPSQTSQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.29
Rot. Bonds5

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

3-N-(2-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112964908) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-N-(2-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112964908
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-N-(2-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccccc1Nc1nncc(Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C19H21N5O/c1-12-9-13(2)18(14(3)10-12)22-17-11-20-24-19(23-17)21-15-7-5-6-8-16(15)25-4/h5-11H,1-4H3,(H2,21,22,23,24)
InChIKeyLNIPKBKYPSQTSQ-UHFFFAOYSA-N
XLogP4.29
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(2-ethoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964911
3-N-(5-chloro-2-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964906
5-N-(2-ethyl-6-methylphenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112964508
5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967183
5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(5-chloro-2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112966716
3-N-(2-chlorophenyl)-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112965783
3-N-(3-chloro-4-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964905
5-N-(2-methoxyphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967105
3-N-(3,4-dimethoxyphenyl)-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967069
5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112965548
5-N-(2-methoxyphenyl)-3-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967104
3-N-(2,4-difluorophenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964941

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(2-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine (CID 112964908) is 3-N-(2-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(2-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(2-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine is COc1ccccc1Nc1nncc(Nc2c(C)cc(C)cc2C)n1.
What is the InChIKey of 3-N-(2-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is LNIPKBKYPSQTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-9-13(2)18(14(3)10-12)22-17-11-20-24-19(23-17)21-15-7-5-6-8-16(15)25-4/h5-11H,1-4H3,(H2,21,22,23,24).
What are the key properties of 3-N-(2-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine?
3-N-(2-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 335.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112964908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).