7-chloro-3-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine

C10H7ClN4OS — CID 18613700

IUPAC7-chloro-3-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCSc1nc(Cl)cc2nnc(-c3ccco3)n12
InChIInChI=1S/C10H7ClN4OS/c1-17-10-12-7(11)5-8-13-14-9(15(8)10)6-3-2-4-16-6/h2-5H,1H3
InChIKeyDSVOOBLCBWOMCT-UHFFFAOYSA-N
MW266.71 g/mol
LogP2.76
Rot. Bonds2

About 7-chloro-3-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 18613700) has the molecular formula C10H7ClN4OS and a molecular weight of 266.71 g/mol. Its IUPAC name is 7-chloro-3-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID18613700
Molecular FormulaC10H7ClN4OS
Molecular Weight266.71 g/mol
Exact Mass266.00
IUPAC Name7-chloro-3-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCSc1nc(Cl)cc2nnc(-c3ccco3)n12
InChIInChI=1S/C10H7ClN4OS/c1-17-10-12-7(11)5-8-13-14-9(15(8)10)6-3-2-4-16-6/h2-5H,1H3
InChIKeyDSVOOBLCBWOMCT-UHFFFAOYSA-N
XLogP2.76
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 18613700) is 7-chloro-3-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine is CSc1nc(Cl)cc2nnc(-c3ccco3)n12.
What is the InChIKey of 7-chloro-3-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is DSVOOBLCBWOMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4OS/c1-17-10-12-7(11)5-8-13-14-9(15(8)10)6-3-2-4-16-6/h2-5H,1H3.
What are the key properties of 7-chloro-3-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 266.71 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 18613700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).