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

C17H18FN5O — CID 20863593

IUPACN-(4-fluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2nc(C)c(CCC(=O)Nc3ccc(F)cc3)c(C)n2n1
InChIInChI=1S/C17H18FN5O/c1-10-15(11(2)23-17(19-10)20-12(3)22-23)8-9-16(24)21-14-6-4-13(18)5-7-14/h4-7H,8-9H2,1-3H3,(H,21,24)
InChIKeyYEFLAIRBZOSUKU-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.76
Rot. Bonds4

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

N-(4-fluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 20863593) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID20863593
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC NameN-(4-fluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2nc(C)c(CCC(=O)Nc3ccc(F)cc3)c(C)n2n1
InChIInChI=1S/C17H18FN5O/c1-10-15(11(2)23-17(19-10)20-12(3)22-23)8-9-16(24)21-14-6-4-13(18)5-7-14/h4-7H,8-9H2,1-3H3,(H,21,24)
InChIKeyYEFLAIRBZOSUKU-UHFFFAOYSA-N
XLogP2.76
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 20863593) is N-(4-fluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2nc(C)c(CCC(=O)Nc3ccc(F)cc3)c(C)n2n1.
What is the InChIKey of N-(4-fluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is YEFLAIRBZOSUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-10-15(11(2)23-17(19-10)20-12(3)22-23)8-9-16(24)21-14-6-4-13(18)5-7-14/h4-7H,8-9H2,1-3H3,(H,21,24).
What are the key properties of N-(4-fluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(4-fluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 327.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 20863593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).