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

C15H12F3N5O — CID 975110

IUPAC7-(difluoromethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)F)n2nc(C(=O)NCc3ccccc3F)nc2n1
InChIInChI=1S/C15H12F3N5O/c1-8-6-11(12(17)18)23-15(20-8)21-13(22-23)14(24)19-7-9-4-2-3-5-10(9)16/h2-6,12H,7H2,1H3,(H,19,24)
InChIKeyZVPGPHQVUMARTR-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.44
Rot. Bonds4

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

7-(difluoromethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 975110) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID975110
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC Name7-(difluoromethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)F)n2nc(C(=O)NCc3ccccc3F)nc2n1
InChIInChI=1S/C15H12F3N5O/c1-8-6-11(12(17)18)23-15(20-8)21-13(22-23)14(24)19-7-9-4-2-3-5-10(9)16/h2-6,12H,7H2,1H3,(H,19,24)
InChIKeyZVPGPHQVUMARTR-UHFFFAOYSA-N
XLogP2.44
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 975110) is 7-(difluoromethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)F)n2nc(C(=O)NCc3ccccc3F)nc2n1.
What is the InChIKey of 7-(difluoromethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ZVPGPHQVUMARTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O/c1-8-6-11(12(17)18)23-15(20-8)21-13(22-23)14(24)19-7-9-4-2-3-5-10(9)16/h2-6,12H,7H2,1H3,(H,19,24).
What are the key properties of 7-(difluoromethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-(difluoromethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 975110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).