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

C11H10Cl2N4 — CID 81035859

IUPAC3,6-dichloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine
SMILESCc1cc(C)cc(Nc2nc(Cl)nnc2Cl)c1
InChIInChI=1S/C11H10Cl2N4/c1-6-3-7(2)5-8(4-6)14-10-9(12)16-17-11(13)15-10/h3-5H,1-2H3,(H,14,15,17)
InChIKeyJRROIZUJESXNGL-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.54
Rot. Bonds2

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

3,6-dichloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine (PubChem CID 81035859) has the molecular formula C11H10Cl2N4 and a molecular weight of 269.14 g/mol. Its IUPAC name is 3,6-dichloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine
PubChem CID81035859
Molecular FormulaC11H10Cl2N4
Molecular Weight269.14 g/mol
Exact Mass268.03
IUPAC Name3,6-dichloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine
SMILESCc1cc(C)cc(Nc2nc(Cl)nnc2Cl)c1
InChIInChI=1S/C11H10Cl2N4/c1-6-3-7(2)5-8(4-6)14-10-9(12)16-17-11(13)15-10/h3-5H,1-2H3,(H,14,15,17)
InChIKeyJRROIZUJESXNGL-UHFFFAOYSA-N
XLogP3.54
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 114999612
3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine
CID 81035328
N-(4-bromo-2,6-difluorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine
CID 81037657
N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine
CID 81036767
3-[4-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3,5-dimethylphenyl]prop-2-enenitrile
CID 76559990
3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 81037637
3,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037604
3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine
CID 107530580
N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine
CID 103481035
3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine
CID 81036472
3,6-dichloro-N-(2-methylsulfanylphenyl)-1,2,4-triazin-5-amine
CID 107645664
N-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9268603

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine (CID 81035859) is 3,6-dichloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine is Cc1cc(C)cc(Nc2nc(Cl)nnc2Cl)c1.
What is the InChIKey of 3,6-dichloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine?
The InChIKey is JRROIZUJESXNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4/c1-6-3-7(2)5-8(4-6)14-10-9(12)16-17-11(13)15-10/h3-5H,1-2H3,(H,14,15,17).
What are the key properties of 3,6-dichloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine has a molecular weight of 269.14 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81035859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).