2-(3-chloro-4-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C10H8ClN7S — CID 169499420

IUPAC2-(3-chloro-4-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCSc1nc(N)n2nc(-c3ccncc3Cl)nc2n1
InChIInChI=1S/C10H8ClN7S/c1-19-10-15-8(12)18-9(16-10)14-7(17-18)5-2-3-13-4-6(5)11/h2-4H,1H3,(H2,12,14,15,16,17)
InChIKeyMXMYVOZHKDXXOC-UHFFFAOYSA-N
MW293.74 g/mol
LogP1.54
Rot. Bonds2

About 2-(3-chloro-4-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

2-(3-chloro-4-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 169499420) has the molecular formula C10H8ClN7S and a molecular weight of 293.74 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID169499420
Molecular FormulaC10H8ClN7S
Molecular Weight293.74 g/mol
Exact Mass293.03
IUPAC Name2-(3-chloro-4-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCSc1nc(N)n2nc(-c3ccncc3Cl)nc2n1
InChIInChI=1S/C10H8ClN7S/c1-19-10-15-8(12)18-9(16-10)14-7(17-18)5-2-3-13-4-6(5)11/h2-4H,1H3,(H2,12,14,15,16,17)
InChIKeyMXMYVOZHKDXXOC-UHFFFAOYSA-N
XLogP1.54
TPSA94.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(3-chloro-4-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine with MolForge

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Related Compounds

2-(3-chloro-4-methylphenyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499131
2-(4-bromophenyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499051
2-(2-methylpyrazol-3-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499415
2-(2,6-difluorophenyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499310
2-(2-methoxypyrimidin-5-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499689
2-(2-methyl-4-nitrophenyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499173
2-(2-bromo-6-methylphenyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499436
2-(2-bromo-4-nitrophenyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499354
5-methylsulfanyl-2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499194
2-(4-iodo-3-methylphenyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499406
7-(3-chloro-4-pyridinyl)isoquinolin-3-amine
CID 71115734
2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine
CID 10464931

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 169499420) is 2-(3-chloro-4-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is CSc1nc(N)n2nc(-c3ccncc3Cl)nc2n1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is MXMYVOZHKDXXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN7S/c1-19-10-15-8(12)18-9(16-10)14-7(17-18)5-2-3-13-4-6(5)11/h2-4H,1H3,(H2,12,14,15,16,17).
What are the key properties of 2-(3-chloro-4-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(3-chloro-4-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 293.74 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 169499420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).