8-chloro-5-(5-methylfuran-2-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine

C11H7ClF3N5O — CID 158126339

IUPAC8-chloro-5-(5-methylfuran-2-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
SMILESCc1ccc(-c2nc(N)c(Cl)c3nc(C(F)(F)F)nn23)o1
InChIInChI=1S/C11H7ClF3N5O/c1-4-2-3-5(21-4)8-17-7(16)6(12)9-18-10(11(13,14)15)19-20(8)9/h2-3H,16H2,1H3
InChIKeyFSFLHTQGBWUHBV-UHFFFAOYSA-N
MW317.66 g/mol
LogP2.95
Rot. Bonds1

About 8-chloro-5-(5-methylfuran-2-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine

8-chloro-5-(5-methylfuran-2-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine (PubChem CID 158126339) has the molecular formula C11H7ClF3N5O and a molecular weight of 317.66 g/mol. Its IUPAC name is 8-chloro-5-(5-methylfuran-2-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine.

Molecular Properties

Compound Name8-chloro-5-(5-methylfuran-2-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
PubChem CID158126339
Molecular FormulaC11H7ClF3N5O
Molecular Weight317.66 g/mol
Exact Mass317.03
IUPAC Name8-chloro-5-(5-methylfuran-2-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
SMILESCc1ccc(-c2nc(N)c(Cl)c3nc(C(F)(F)F)nn23)o1
InChIInChI=1S/C11H7ClF3N5O/c1-4-2-3-5(21-4)8-17-7(16)6(12)9-18-10(11(13,14)15)19-20(8)9/h2-3H,16H2,1H3
InChIKeyFSFLHTQGBWUHBV-UHFFFAOYSA-N
XLogP2.95
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.66
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-(5-methylfuran-2-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The IUPAC name of 8-chloro-5-(5-methylfuran-2-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine (CID 158126339) is 8-chloro-5-(5-methylfuran-2-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine.
What is the SMILES notation for 8-chloro-5-(5-methylfuran-2-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The canonical SMILES for 8-chloro-5-(5-methylfuran-2-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine is Cc1ccc(-c2nc(N)c(Cl)c3nc(C(F)(F)F)nn23)o1.
What is the InChIKey of 8-chloro-5-(5-methylfuran-2-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The InChIKey is FSFLHTQGBWUHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N5O/c1-4-2-3-5(21-4)8-17-7(16)6(12)9-18-10(11(13,14)15)19-20(8)9/h2-3H,16H2,1H3.
What are the key properties of 8-chloro-5-(5-methylfuran-2-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
8-chloro-5-(5-methylfuran-2-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine has a molecular weight of 317.66 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-(5-methylfuran-2-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine is sourced from PubChem (CID 158126339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).