N-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C15H11F4N5O2 — CID 44824639

IUPACN-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)C(F)F)cc1)c1nc2ncccn2n1
InChIInChI=1S/C15H11F4N5O2/c16-13(17)15(18,19)8-26-10-4-2-9(3-5-10)21-12(25)11-22-14-20-6-1-7-24(14)23-11/h1-7,13H,8H2,(H,21,25)
InChIKeyASYGGKSXIHWBSD-UHFFFAOYSA-N
MW369.28 g/mol
LogP2.66
Rot. Bonds6

About N-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 44824639) has the molecular formula C15H11F4N5O2 and a molecular weight of 369.28 g/mol. Its IUPAC name is N-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID44824639
Molecular FormulaC15H11F4N5O2
Molecular Weight369.28 g/mol
Exact Mass369.08
IUPAC NameN-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)C(F)F)cc1)c1nc2ncccn2n1
InChIInChI=1S/C15H11F4N5O2/c16-13(17)15(18,19)8-26-10-4-2-9(3-5-10)21-12(25)11-22-14-20-6-1-7-24(14)23-11/h1-7,13H,8H2,(H,21,25)
InChIKeyASYGGKSXIHWBSD-UHFFFAOYSA-N
XLogP2.66
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[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

Related Compounds

N-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824647
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 19583672
N-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169203
N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169223
1-amino-3-[4-[5-oxo-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-1-yl]phenyl]urea
CID 22624542
methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate
CID 821880
N-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315703
N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315733
N-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 707453
N-[4-(4-ethoxyphenoxy)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8873482
N-[1-(4-tert-butylphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824657
N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 23795774

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 44824639) is N-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1ccc(OCC(F)(F)C(F)F)cc1)c1nc2ncccn2n1.
What is the InChIKey of N-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ASYGGKSXIHWBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N5O2/c16-13(17)15(18,19)8-26-10-4-2-9(3-5-10)21-12(25)11-22-14-20-6-1-7-24(14)23-11/h1-7,13H,8H2,(H,21,25).
What are the key properties of N-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 369.28 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 44824639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).