8-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine

C11H9ClN4O — CID 175920307

IUPAC8-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc2c(Cl)cnc(-c3ccc(C)o3)n2n1
InChIInChI=1S/C11H9ClN4O/c1-6-3-4-9(17-6)11-13-5-8(12)10-14-7(2)15-16(10)11/h3-5H,1-2H3
InChIKeyZSMZDPJLPDHPOK-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.65
Rot. Bonds1

About 8-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine

8-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 175920307) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 8-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name8-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID175920307
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name8-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc2c(Cl)cnc(-c3ccc(C)o3)n2n1
InChIInChI=1S/C11H9ClN4O/c1-6-3-4-9(17-6)11-13-5-8(12)10-14-7(2)15-16(10)11/h3-5H,1-2H3
InChIKeyZSMZDPJLPDHPOK-UHFFFAOYSA-N
XLogP2.65
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 8-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine (CID 175920307) is 8-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 8-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 8-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine is Cc1nc2c(Cl)cnc(-c3ccc(C)o3)n2n1.
What is the InChIKey of 8-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is ZSMZDPJLPDHPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c1-6-3-4-9(17-6)11-13-5-8(12)10-14-7(2)15-16(10)11/h3-5H,1-2H3.
What are the key properties of 8-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine?
8-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 248.67 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 175920307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).