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

C10H8Cl2N4S — CID 107645664

IUPAC3,6-dichloro-N-(2-methylsulfanylphenyl)-1,2,4-triazin-5-amine
SMILESCSc1ccccc1Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C10H8Cl2N4S/c1-17-7-5-3-2-4-6(7)13-9-8(11)15-16-10(12)14-9/h2-5H,1H3,(H,13,14,16)
InChIKeySHIVBAJBPOXZHG-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.64
Rot. Bonds3

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

3,6-dichloro-N-(2-methylsulfanylphenyl)-1,2,4-triazin-5-amine (PubChem CID 107645664) has the molecular formula C10H8Cl2N4S and a molecular weight of 287.18 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-methylsulfanylphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(2-methylsulfanylphenyl)-1,2,4-triazin-5-amine
PubChem CID107645664
Molecular FormulaC10H8Cl2N4S
Molecular Weight287.18 g/mol
Exact Mass285.98
IUPAC Name3,6-dichloro-N-(2-methylsulfanylphenyl)-1,2,4-triazin-5-amine
SMILESCSc1ccccc1Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C10H8Cl2N4S/c1-17-7-5-3-2-4-6(7)13-9-8(11)15-16-10(12)14-9/h2-5H,1H3,(H,13,14,16)
InChIKeySHIVBAJBPOXZHG-UHFFFAOYSA-N
XLogP3.64
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine
CID 103481035
N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine
CID 81035858
3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine
CID 107530580
3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine
CID 81036472
3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
CID 107647228
3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine
CID 114072745
4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine
CID 107645630
3,6-dichloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 81035859
7-chloro-5-methyl-N-(2-methylsulfanylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 59646499
3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 81037637
4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine
CID 107643432
3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine
CID 81035328

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-methylsulfanylphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(2-methylsulfanylphenyl)-1,2,4-triazin-5-amine (CID 107645664) is 3,6-dichloro-N-(2-methylsulfanylphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(2-methylsulfanylphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(2-methylsulfanylphenyl)-1,2,4-triazin-5-amine is CSc1ccccc1Nc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-methylsulfanylphenyl)-1,2,4-triazin-5-amine?
The InChIKey is SHIVBAJBPOXZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4S/c1-17-7-5-3-2-4-6(7)13-9-8(11)15-16-10(12)14-9/h2-5H,1H3,(H,13,14,16).
What are the key properties of 3,6-dichloro-N-(2-methylsulfanylphenyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(2-methylsulfanylphenyl)-1,2,4-triazin-5-amine has a molecular weight of 287.18 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-methylsulfanylphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 107645664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).