3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine

C12H12Cl2N4 — CID 81038178

IUPAC3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine
SMILESCCc1ccc(N(C)c2nc(Cl)nnc2Cl)cc1
InChIInChI=1S/C12H12Cl2N4/c1-3-8-4-6-9(7-5-8)18(2)11-10(13)16-17-12(14)15-11/h4-7H,3H2,1-2H3
InChIKeyUETXVYXLTUNCKI-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.51
Rot. Bonds3

About 3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine

3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine (PubChem CID 81038178) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is 3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine
PubChem CID81038178
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine
SMILESCCc1ccc(N(C)c2nc(Cl)nnc2Cl)cc1
InChIInChI=1S/C12H12Cl2N4/c1-3-8-4-6-9(7-5-8)18(2)11-10(13)16-17-12(14)15-11/h4-7H,3H2,1-2H3
InChIKeyUETXVYXLTUNCKI-UHFFFAOYSA-N
XLogP3.51
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine (CID 81038178) is 3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine is CCc1ccc(N(C)c2nc(Cl)nnc2Cl)cc1.
What is the InChIKey of 3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine?
The InChIKey is UETXVYXLTUNCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c1-3-8-4-6-9(7-5-8)18(2)11-10(13)16-17-12(14)15-11/h4-7H,3H2,1-2H3.
What are the key properties of 3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine?
3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine has a molecular weight of 283.16 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 81038178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).