5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

C8H9ClN4S — CID 102919316

IUPAC5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)Sc1cc(Cl)nc2ncnn12
InChIInChI=1S/C8H9ClN4S/c1-5(2)14-7-3-6(9)12-8-10-4-11-13(7)8/h3-5H,1-2H3
InChIKeyCWHXUZWGTQXWDV-UHFFFAOYSA-N
MW228.71 g/mol
LogP2.28
Rot. Bonds2

About 5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 102919316) has the molecular formula C8H9ClN4S and a molecular weight of 228.71 g/mol. Its IUPAC name is 5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID102919316
Molecular FormulaC8H9ClN4S
Molecular Weight228.71 g/mol
Exact Mass228.02
IUPAC Name5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)Sc1cc(Cl)nc2ncnn12
InChIInChI=1S/C8H9ClN4S/c1-5(2)14-7-3-6(9)12-8-10-4-11-13(7)8/h3-5H,1-2H3
InChIKeyCWHXUZWGTQXWDV-UHFFFAOYSA-N
XLogP2.28
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.71
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-7-(2-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 107751248
7-(2-bromophenyl)sulfanyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919271
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]propanoic acid
CID 43395323
5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918512
5-chloro-7-(2,3-dihydro-1H-inden-5-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919304
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 136747745
ethyl 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate
CID 14850356
5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919185
5-chloro-N-(1-cyclopropylethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918468
5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918874
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505
7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918340

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 102919316) is 5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is CC(C)Sc1cc(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CWHXUZWGTQXWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4S/c1-5(2)14-7-3-6(9)12-8-10-4-11-13(7)8/h3-5H,1-2H3.
What are the key properties of 5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 228.71 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 102919316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).