7-(difluoromethyl)-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C7H6F2N4O2 — CID 165474559

IUPAC7-(difluoromethyl)-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCOc1nc2[nH]c(=O)cc(C(F)F)n2n1
InChIInChI=1S/C7H6F2N4O2/c1-15-7-11-6-10-4(14)2-3(5(8)9)13(6)12-7/h2,5H,1H3,(H,10,11,12,14)
InChIKeyCCWIKNDLQWFFFP-UHFFFAOYSA-N
MW216.15 g/mol
LogP0.36
Rot. Bonds2

About 7-(difluoromethyl)-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

7-(difluoromethyl)-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 165474559) has the molecular formula C7H6F2N4O2 and a molecular weight of 216.15 g/mol. Its IUPAC name is 7-(difluoromethyl)-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(difluoromethyl)-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID165474559
Molecular FormulaC7H6F2N4O2
Molecular Weight216.15 g/mol
Exact Mass216.05
IUPAC Name7-(difluoromethyl)-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCOc1nc2[nH]c(=O)cc(C(F)F)n2n1
InChIInChI=1S/C7H6F2N4O2/c1-15-7-11-6-10-4(14)2-3(5(8)9)13(6)12-7/h2,5H,1H3,(H,10,11,12,14)
InChIKeyCCWIKNDLQWFFFP-UHFFFAOYSA-N
XLogP0.36
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.15
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-(difluoromethyl)-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 165474559) is 7-(difluoromethyl)-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-(difluoromethyl)-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-(difluoromethyl)-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is COc1nc2[nH]c(=O)cc(C(F)F)n2n1.
What is the InChIKey of 7-(difluoromethyl)-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is CCWIKNDLQWFFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N4O2/c1-15-7-11-6-10-4(14)2-3(5(8)9)13(6)12-7/h2,5H,1H3,(H,10,11,12,14).
What are the key properties of 7-(difluoromethyl)-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-(difluoromethyl)-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 216.15 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 165474559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).