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

C15H13F2N5O2 — CID 969821

IUPAC7-(difluoromethyl)-N-(2-hydroxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c1
InChIInChI=1S/C15H13F2N5O2/c1-7-3-4-11(23)9(5-7)19-14(24)13-20-15-18-8(2)6-10(12(16)17)22(15)21-13/h3-6,12,23H,1-2H3,(H,19,24)
InChIKeyHBPAPUXYHLPPHY-UHFFFAOYSA-N
MW333.30 g/mol
LogP2.64
Rot. Bonds3

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

7-(difluoromethyl)-N-(2-hydroxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 969821) has the molecular formula C15H13F2N5O2 and a molecular weight of 333.30 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(2-hydroxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(2-hydroxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID969821
Molecular FormulaC15H13F2N5O2
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC Name7-(difluoromethyl)-N-(2-hydroxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c1
InChIInChI=1S/C15H13F2N5O2/c1-7-3-4-11(23)9(5-7)19-14(24)13-20-15-18-8(2)6-10(12(16)17)22(15)21-13/h3-6,12,23H,1-2H3,(H,19,24)
InChIKeyHBPAPUXYHLPPHY-UHFFFAOYSA-N
XLogP2.64
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(2-hydroxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(2-hydroxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 969821) is 7-(difluoromethyl)-N-(2-hydroxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(2-hydroxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(2-hydroxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(O)c(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c1.
What is the InChIKey of 7-(difluoromethyl)-N-(2-hydroxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HBPAPUXYHLPPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O2/c1-7-3-4-11(23)9(5-7)19-14(24)13-20-15-18-8(2)6-10(12(16)17)22(15)21-13/h3-6,12,23H,1-2H3,(H,19,24).
What are the key properties of 7-(difluoromethyl)-N-(2-hydroxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-(difluoromethyl)-N-(2-hydroxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 333.30 g/mol, XLogP of 2.64, 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-hydroxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 969821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).