N-(2,4-difluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

C17H17F2N5O — CID 20863594

IUPACN-(2,4-difluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2nc(C)c(CCC(=O)Nc3ccc(F)cc3F)c(C)n2n1
InChIInChI=1S/C17H17F2N5O/c1-9-13(10(2)24-17(20-9)21-11(3)23-24)5-7-16(25)22-15-6-4-12(18)8-14(15)19/h4,6,8H,5,7H2,1-3H3,(H,22,25)
InChIKeyCCIBXPBTZHIUHI-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.90
Rot. Bonds4

About N-(2,4-difluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

N-(2,4-difluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 20863594) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID20863594
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC NameN-(2,4-difluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2nc(C)c(CCC(=O)Nc3ccc(F)cc3F)c(C)n2n1
InChIInChI=1S/C17H17F2N5O/c1-9-13(10(2)24-17(20-9)21-11(3)23-24)5-7-16(25)22-15-6-4-12(18)8-14(15)19/h4,6,8H,5,7H2,1-3H3,(H,22,25)
InChIKeyCCIBXPBTZHIUHI-UHFFFAOYSA-N
XLogP2.90
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 20863594) is N-(2,4-difluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2nc(C)c(CCC(=O)Nc3ccc(F)cc3F)c(C)n2n1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is CCIBXPBTZHIUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O/c1-9-13(10(2)24-17(20-9)21-11(3)23-24)5-7-16(25)22-15-6-4-12(18)8-14(15)19/h4,6,8H,5,7H2,1-3H3,(H,22,25).
What are the key properties of N-(2,4-difluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(2,4-difluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 345.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 20863594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).