N-cyclopropyl-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C14H10F3N5O2 — CID 46368175

IUPACN-cyclopropyl-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CC1)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C14H10F3N5O2/c15-14(16,17)10-6-8(9-2-1-5-24-9)19-13-20-11(21-22(10)13)12(23)18-7-3-4-7/h1-2,5-7H,3-4H2,(H,18,23)
InChIKeyLSRRYQAABCQFST-UHFFFAOYSA-N
MW337.26 g/mol
LogP2.30
Rot. Bonds3

About N-cyclopropyl-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-cyclopropyl-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 46368175) has the molecular formula C14H10F3N5O2 and a molecular weight of 337.26 g/mol. Its IUPAC name is N-cyclopropyl-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID46368175
Molecular FormulaC14H10F3N5O2
Molecular Weight337.26 g/mol
Exact Mass337.08
IUPAC NameN-cyclopropyl-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CC1)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C14H10F3N5O2/c15-14(16,17)10-6-8(9-2-1-5-24-9)19-13-20-11(21-22(10)13)12(23)18-7-3-4-7/h1-2,5-7H,3-4H2,(H,18,23)
InChIKeyLSRRYQAABCQFST-UHFFFAOYSA-N
XLogP2.30
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 46368175) is N-cyclopropyl-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1CC1)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-cyclopropyl-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LSRRYQAABCQFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2/c15-14(16,17)10-6-8(9-2-1-5-24-9)19-13-20-11(21-22(10)13)12(23)18-7-3-4-7/h1-2,5-7H,3-4H2,(H,18,23).
What are the key properties of N-cyclopropyl-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-cyclopropyl-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 337.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46368175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).