7-(difluoromethyl)-N-(2-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C14H11F2N5O2 — CID 1226150

IUPAC7-(difluoromethyl)-N-(2-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)F)n2nc(C(=O)Nc3ccccc3O)nc2n1
InChIInChI=1S/C14H11F2N5O2/c1-7-6-9(11(15)16)21-14(17-7)19-12(20-21)13(23)18-8-4-2-3-5-10(8)22/h2-6,11,22H,1H3,(H,18,23)
InChIKeyNHHPMKTUUFHTNQ-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.33
Rot. Bonds3

About 7-(difluoromethyl)-N-(2-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-(difluoromethyl)-N-(2-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1226150) has the molecular formula C14H11F2N5O2 and a molecular weight of 319.27 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(2-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(2-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1226150
Molecular FormulaC14H11F2N5O2
Molecular Weight319.27 g/mol
Exact Mass319.09
IUPAC Name7-(difluoromethyl)-N-(2-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)F)n2nc(C(=O)Nc3ccccc3O)nc2n1
InChIInChI=1S/C14H11F2N5O2/c1-7-6-9(11(15)16)21-14(17-7)19-12(20-21)13(23)18-8-4-2-3-5-10(8)22/h2-6,11,22H,1H3,(H,18,23)
InChIKeyNHHPMKTUUFHTNQ-UHFFFAOYSA-N
XLogP2.33
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-(difluoromethyl)-N-(2-hydroxyphenyl)-5-methyl-[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-(4-acetylphenyl)-7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 969594
7-(difluoromethyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 975225
7-(difluoromethyl)-N-(4-fluoro-3-nitrophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1227759
5,7-dimethyl-N-(2-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2549973
N-(5-chloro-2-hydroxyphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416210
N-(2,3-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26736872
5,7-dimethyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 34732747
5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 41369796
N-[2-(2-chlorophenoxy)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 37348111
N-(2-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17404340
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
CID 19532090
7-(difluoromethyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416192

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(2-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(2-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 1226150) is 7-(difluoromethyl)-N-(2-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(2-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(2-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)F)n2nc(C(=O)Nc3ccccc3O)nc2n1.
What is the InChIKey of 7-(difluoromethyl)-N-(2-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NHHPMKTUUFHTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5O2/c1-7-6-9(11(15)16)21-14(17-7)19-12(20-21)13(23)18-8-4-2-3-5-10(8)22/h2-6,11,22H,1H3,(H,18,23).
What are the key properties of 7-(difluoromethyl)-N-(2-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-(difluoromethyl)-N-(2-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 319.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(2-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1226150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).