2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

C8H8N4S — CID 51111566

IUPAC2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC=CCSc1nc2ncccn2n1
InChIInChI=1S/C8H8N4S/c1-2-6-13-8-10-7-9-4-3-5-12(7)11-8/h2-5H,1,6H2
InChIKeyVWSCSODPWSWSJT-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.40
Rot. Bonds3

About 2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 51111566) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID51111566
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC=CCSc1nc2ncccn2n1
InChIInChI=1S/C8H8N4S/c1-2-6-13-8-10-7-9-4-3-5-12(7)11-8/h2-5H,1,6H2
InChIKeyVWSCSODPWSWSJT-UHFFFAOYSA-N
XLogP1.40
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 51111566) is 2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is C=CCSc1nc2ncccn2n1.
What is the InChIKey of 2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is VWSCSODPWSWSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-2-6-13-8-10-7-9-4-3-5-12(7)11-8/h2-5H,1,6H2.
What are the key properties of 2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 192.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 51111566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).