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

C19H21N5 — CID 112961753

IUPAC5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccccc1Nc1cnnc(Nc2ccccc2C(C)C)n1
InChIInChI=1S/C19H21N5/c1-13(2)15-9-5-7-11-17(15)22-19-23-18(12-20-24-19)21-16-10-6-4-8-14(16)3/h4-13H,1-3H3,(H2,21,22,23,24)
InChIKeyGDKQXEVMDWKVAU-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.79
Rot. Bonds5

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

5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112961753) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112961753
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccccc1Nc1cnnc(Nc2ccccc2C(C)C)n1
InChIInChI=1S/C19H21N5/c1-13(2)15-9-5-7-11-17(15)22-19-23-18(12-20-24-19)21-16-10-6-4-8-14(16)3/h4-13H,1-3H3,(H2,21,22,23,24)
InChIKeyGDKQXEVMDWKVAU-UHFFFAOYSA-N
XLogP4.79
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(4-chloro-2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964692
3-N-(5-chloro-2-methylphenyl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964619
3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964683
5-N-propan-2-yl-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112938796
3-N-tert-butyl-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959041
3-N-(4-chlorophenyl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964617
5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964736
3-N-(2-propan-2-ylphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112964734
3-N-(3,4-dichlorophenyl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964667
3-N-(4-ethylphenyl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964237
3-N-[4-(dimethylamino)phenyl]-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964649
4-[[3-(2-propan-2-ylanilino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112964750

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine (CID 112961753) is 5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine is Cc1ccccc1Nc1cnnc(Nc2ccccc2C(C)C)n1.
What is the InChIKey of 5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is GDKQXEVMDWKVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-13(2)15-9-5-7-11-17(15)22-19-23-18(12-20-24-19)21-16-10-6-4-8-14(16)3/h4-13H,1-3H3,(H2,21,22,23,24).
What are the key properties of 5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 319.41 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112961753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).