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

C20H22N6O — CID 112962217

IUPAC5-N-(4-methylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccc(Nc2cnnc(Nc3ccccc3N3CCOCC3)n2)cc1
InChIInChI=1S/C20H22N6O/c1-15-6-8-16(9-7-15)22-19-14-21-25-20(24-19)23-17-4-2-3-5-18(17)26-10-12-27-13-11-26/h2-9,14H,10-13H2,1H3,(H2,22,23,24,25)
InChIKeyPSILLPWOJUBUMJ-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.50
Rot. Bonds5

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

5-N-(4-methylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112962217) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 5-N-(4-methylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-methylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112962217
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name5-N-(4-methylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccc(Nc2cnnc(Nc3ccccc3N3CCOCC3)n2)cc1
InChIInChI=1S/C20H22N6O/c1-15-6-8-16(9-7-15)22-19-14-21-25-20(24-19)23-17-4-2-3-5-18(17)26-10-12-27-13-11-26/h2-9,14H,10-13H2,1H3,(H2,22,23,24,25)
InChIKeyPSILLPWOJUBUMJ-UHFFFAOYSA-N
XLogP3.50
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-(4-ethoxyphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112967586
3-N-(3-methylphenyl)-5-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962114
5-N-(3,4-difluorophenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112969000
5-N-(2,3-dimethylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963863
5-N-(2-fluorophenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112965414
3-N-(5-chloro-2-methylphenyl)-5-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966351
3-N-(2-morpholin-4-ylphenyl)-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939635
5-N-[(4-methoxyphenyl)methyl]-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951133
3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962174
4-N-(3,4-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112902564
5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-1,2,4-triazin-3-amine
CID 112962623
2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112928044

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-methylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(4-methylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine (CID 112962217) is 5-N-(4-methylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(4-methylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(4-methylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine is Cc1ccc(Nc2cnnc(Nc3ccccc3N3CCOCC3)n2)cc1.
What is the InChIKey of 5-N-(4-methylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is PSILLPWOJUBUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-15-6-8-16(9-7-15)22-19-14-21-25-20(24-19)23-17-4-2-3-5-18(17)26-10-12-27-13-11-26/h2-9,14H,10-13H2,1H3,(H2,22,23,24,25).
What are the key properties of 5-N-(4-methylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine?
5-N-(4-methylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 362.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-methylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112962217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).