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

C11H10Cl2N4 — CID 81035547

IUPAC3,6-dichloro-N-methyl-N-(2-methylphenyl)-1,2,4-triazin-5-amine
SMILESCc1ccccc1N(C)c1nc(Cl)nnc1Cl
InChIInChI=1S/C11H10Cl2N4/c1-7-5-3-4-6-8(7)17(2)10-9(12)15-16-11(13)14-10/h3-6H,1-2H3
InChIKeyUEKJUEOZDHGNLO-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.25
Rot. Bonds2

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

3,6-dichloro-N-methyl-N-(2-methylphenyl)-1,2,4-triazin-5-amine (PubChem CID 81035547) has the molecular formula C11H10Cl2N4 and a molecular weight of 269.14 g/mol. Its IUPAC name is 3,6-dichloro-N-methyl-N-(2-methylphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-methyl-N-(2-methylphenyl)-1,2,4-triazin-5-amine
PubChem CID81035547
Molecular FormulaC11H10Cl2N4
Molecular Weight269.14 g/mol
Exact Mass268.03
IUPAC Name3,6-dichloro-N-methyl-N-(2-methylphenyl)-1,2,4-triazin-5-amine
SMILESCc1ccccc1N(C)c1nc(Cl)nnc1Cl
InChIInChI=1S/C11H10Cl2N4/c1-7-5-3-4-6-8(7)17(2)10-9(12)15-16-11(13)14-10/h3-6H,1-2H3
InChIKeyUEKJUEOZDHGNLO-UHFFFAOYSA-N
XLogP3.25
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-methyl-N-(2-methylphenyl)pyrimidin-5-amine
CID 119091043
3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine
CID 81038178
5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 79728401
2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
CID 79072490
2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile
CID 83077155
N,10-dimethyl-N-phenylcyclodeca-1,3,5,7,9-pentaen-1-amine
CID 135227535
6-chloro-N-(2-methoxyphenyl)-N,4,5-trimethylpyridazin-3-amine
CID 55167573
4-chloro-N-ethyl-N-(2-methylphenyl)phthalazin-1-amine
CID 63548010
6-chloro-N-methyl-N-(2-methylphenyl)-4-nitropyridin-2-amine
CID 114070833
2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 79073469
6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 63728003
2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 63548184

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-methyl-N-(2-methylphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-methyl-N-(2-methylphenyl)-1,2,4-triazin-5-amine (CID 81035547) is 3,6-dichloro-N-methyl-N-(2-methylphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-methyl-N-(2-methylphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-methyl-N-(2-methylphenyl)-1,2,4-triazin-5-amine is Cc1ccccc1N(C)c1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-methyl-N-(2-methylphenyl)-1,2,4-triazin-5-amine?
The InChIKey is UEKJUEOZDHGNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4/c1-7-5-3-4-6-8(7)17(2)10-9(12)15-16-11(13)14-10/h3-6H,1-2H3.
What are the key properties of 3,6-dichloro-N-methyl-N-(2-methylphenyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-methyl-N-(2-methylphenyl)-1,2,4-triazin-5-amine has a molecular weight of 269.14 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-methyl-N-(2-methylphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81035547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).