N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide

C14H12FN5O — CID 23607310

IUPACN-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide
SMILESCc1cc(C)n2nc(NC(=O)c3ccccc3F)nc2n1
InChIInChI=1S/C14H12FN5O/c1-8-7-9(2)20-14(16-8)18-13(19-20)17-12(21)10-5-3-4-6-11(10)15/h3-7H,1-2H3,(H,17,19,21)
InChIKeyZFBDGXQQHDBTDV-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.13
Rot. Bonds2

About N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide

N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide (PubChem CID 23607310) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide
PubChem CID23607310
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC NameN-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide
SMILESCc1cc(C)n2nc(NC(=O)c3ccccc3F)nc2n1
InChIInChI=1S/C14H12FN5O/c1-8-7-9(2)20-14(16-8)18-13(19-20)17-12(21)10-5-3-4-6-11(10)15/h3-7H,1-2H3,(H,17,19,21)
InChIKeyZFBDGXQQHDBTDV-UHFFFAOYSA-N
XLogP2.13
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide?
The IUPAC name of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide (CID 23607310) is N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide is Cc1cc(C)n2nc(NC(=O)c3ccccc3F)nc2n1.
What is the InChIKey of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide?
The InChIKey is ZFBDGXQQHDBTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c1-8-7-9(2)20-14(16-8)18-13(19-20)17-12(21)10-5-3-4-6-11(10)15/h3-7H,1-2H3,(H,17,19,21).
What are the key properties of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide?
N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide has a molecular weight of 285.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 23607310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).