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

C18H13F2N5O — CID 1093903

IUPAC7-(difluoromethyl)-5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)F)n2nc(C(=O)Nc3cccc4ccccc34)nc2n1
InChIInChI=1S/C18H13F2N5O/c1-10-9-14(15(19)20)25-18(21-10)23-16(24-25)17(26)22-13-8-4-6-11-5-2-3-7-12(11)13/h2-9,15H,1H3,(H,22,26)
InChIKeyFYGOJXCTEPGBID-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.78
Rot. Bonds3

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

7-(difluoromethyl)-5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1093903) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1093903
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC Name7-(difluoromethyl)-5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)F)n2nc(C(=O)Nc3cccc4ccccc34)nc2n1
InChIInChI=1S/C18H13F2N5O/c1-10-9-14(15(19)20)25-18(21-10)23-16(24-25)17(26)22-13-8-4-6-11-5-2-3-7-12(11)13/h2-9,15H,1H3,(H,22,26)
InChIKeyFYGOJXCTEPGBID-UHFFFAOYSA-N
XLogP3.78
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(difluoromethyl)-5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 1093903) is 7-(difluoromethyl)-5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)F)n2nc(C(=O)Nc3cccc4ccccc34)nc2n1.
What is the InChIKey of 7-(difluoromethyl)-5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is FYGOJXCTEPGBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c1-10-9-14(15(19)20)25-18(21-10)23-16(24-25)17(26)22-13-8-4-6-11-5-2-3-7-12(11)13/h2-9,15H,1H3,(H,22,26).
What are the key properties of 7-(difluoromethyl)-5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-(difluoromethyl)-5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1093903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).