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

C15H19N5 — CID 112939783

IUPAC3-N-prop-2-enyl-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESC=CCNc1nncc(Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C15H19N5/c1-5-6-16-15-19-13(9-17-20-15)18-14-11(3)7-10(2)8-12(14)4/h5,7-9H,1,6H2,2-4H3,(H2,16,18,19,20)
InChIKeyVBBHAAJTMUIDEP-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.14
Rot. Bonds5

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

3-N-prop-2-enyl-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112939783) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-N-prop-2-enyl-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-prop-2-enyl-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112939783
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name3-N-prop-2-enyl-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESC=CCNc1nncc(Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C15H19N5/c1-5-6-16-15-19-13(9-17-20-15)18-14-11(3)7-10(2)8-12(14)4/h5,7-9H,1,6H2,2-4H3,(H2,16,18,19,20)
InChIKeyVBBHAAJTMUIDEP-UHFFFAOYSA-N
XLogP3.14
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-N-(furan-2-ylmethyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947428
3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938292
3-N-(3,4-dimethylphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963395
5-N-(2-chloro-4,6-dimethylphenyl)-3-N-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948800
3-N-[(3-methylphenyl)methyl]-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939503
5-N-[3-(dimethylamino)propyl]-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112945506
5-N-(3-bromophenyl)-3-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939838
5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939860
3-N-(2-ethyl-6-methylphenyl)-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939584
5-N-butan-2-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112940757
3-N-(2,3,4-trifluorophenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964950
3-N-[4-(trifluoromethyl)phenyl]-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964921

Frequently Asked Questions

What is the IUPAC name of 3-N-prop-2-enyl-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-prop-2-enyl-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine (CID 112939783) is 3-N-prop-2-enyl-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-prop-2-enyl-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-prop-2-enyl-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine is C=CCNc1nncc(Nc2c(C)cc(C)cc2C)n1.
What is the InChIKey of 3-N-prop-2-enyl-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is VBBHAAJTMUIDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-5-6-16-15-19-13(9-17-20-15)18-14-11(3)7-10(2)8-12(14)4/h5,7-9H,1,6H2,2-4H3,(H2,16,18,19,20).
What are the key properties of 3-N-prop-2-enyl-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine?
3-N-prop-2-enyl-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 269.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-prop-2-enyl-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112939783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).