3-N,5-N-bis(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine

C19H21N5 — CID 112963643

IUPAC3-N,5-N-bis(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cccc(C)c1Nc1cnnc(Nc2c(C)cccc2C)n1
InChIInChI=1S/C19H21N5/c1-12-7-5-8-13(2)17(12)21-16-11-20-24-19(22-16)23-18-14(3)9-6-10-15(18)4/h5-11H,1-4H3,(H2,21,22,23,24)
InChIKeyJEQYPZDFOKIEJY-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.59
Rot. Bonds4

About 3-N,5-N-bis(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine

3-N,5-N-bis(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112963643) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-N,5-N-bis(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N,5-N-bis(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112963643
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name3-N,5-N-bis(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cccc(C)c1Nc1cnnc(Nc2c(C)cccc2C)n1
InChIInChI=1S/C19H21N5/c1-12-7-5-8-13(2)17(12)21-16-11-20-24-19(22-16)23-18-14(3)9-6-10-15(18)4/h5-11H,1-4H3,(H2,21,22,23,24)
InChIKeyJEQYPZDFOKIEJY-UHFFFAOYSA-N
XLogP4.59
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(3,5-dichlorophenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963797
3-N-(2-bromophenyl)-5-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963698
5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963744
5-N-(2-bromo-4-methylphenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963784
3-N-(2,6-dimethylphenyl)-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112963763
5-N-(2,6-dimethylphenyl)-3-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112963679
5-N-(2,6-dimethylphenyl)-3-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112943567
5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963788
3-N-(2-ethyl-6-methylphenyl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961752
5-N-(3-chloro-4-methoxyphenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963748
3-N-(2-ethyl-6-methylphenyl)-5-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964152
3-N-(3,5-dimethylphenyl)-5-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963563

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N,5-N-bis(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine (CID 112963643) is 3-N,5-N-bis(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N,5-N-bis(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N,5-N-bis(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine is Cc1cccc(C)c1Nc1cnnc(Nc2c(C)cccc2C)n1.
What is the InChIKey of 3-N,5-N-bis(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is JEQYPZDFOKIEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-12-7-5-8-13(2)17(12)21-16-11-20-24-19(22-16)23-18-14(3)9-6-10-15(18)4/h5-11H,1-4H3,(H2,21,22,23,24).
What are the key properties of 3-N,5-N-bis(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
3-N,5-N-bis(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 319.41 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112963643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).