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

C11H9ClN4O — CID 160620479

IUPAC7-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc2cc(Cl)nc(-c3ccc(C)o3)n2n1
InChIInChI=1S/C11H9ClN4O/c1-6-3-4-8(17-6)11-14-9(12)5-10-13-7(2)15-16(10)11/h3-5H,1-2H3
InChIKeyNOUVLMRQXFRPND-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.65
Rot. Bonds1

About 7-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine

7-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 160620479) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 7-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID160620479
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name7-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc2cc(Cl)nc(-c3ccc(C)o3)n2n1
InChIInChI=1S/C11H9ClN4O/c1-6-3-4-8(17-6)11-14-9(12)5-10-13-7(2)15-16(10)11/h3-5H,1-2H3
InChIKeyNOUVLMRQXFRPND-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 7-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 7-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine (CID 160620479) is 7-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 7-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 7-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine is Cc1nc2cc(Cl)nc(-c3ccc(C)o3)n2n1.
What is the InChIKey of 7-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is NOUVLMRQXFRPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c1-6-3-4-8(17-6)11-14-9(12)5-10-13-7(2)15-16(10)11/h3-5H,1-2H3.
What are the key properties of 7-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine?
7-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 7-chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 160620479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).