7-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one

C17H12F2N6O2 — CID 171620580

IUPAC7-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one
SMILESCc1c(-c2ccnc(OC(F)F)c2)cc2cnn(-c3ncccn3)c(=O)n12
InChIInChI=1S/C17H12F2N6O2/c1-10-13(11-3-6-20-14(7-11)27-15(18)19)8-12-9-23-25(17(26)24(10)12)16-21-4-2-5-22-16/h2-9,15H,1H3
InChIKeyLGLINUFSPRWARI-UHFFFAOYSA-N
MW370.32 g/mol
LogP2.25
Rot. Bonds4

About 7-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one

7-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one (PubChem CID 171620580) has the molecular formula C17H12F2N6O2 and a molecular weight of 370.32 g/mol. Its IUPAC name is 7-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one
PubChem CID171620580
Molecular FormulaC17H12F2N6O2
Molecular Weight370.32 g/mol
Exact Mass370.10
IUPAC Name7-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one
SMILESCc1c(-c2ccnc(OC(F)F)c2)cc2cnn(-c3ncccn3)c(=O)n12
InChIInChI=1S/C17H12F2N6O2/c1-10-13(11-3-6-20-14(7-11)27-15(18)19)8-12-9-23-25(17(26)24(10)12)16-21-4-2-5-22-16/h2-9,15H,1H3
InChIKeyLGLINUFSPRWARI-UHFFFAOYSA-N
XLogP2.25
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The IUPAC name of 7-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one (CID 171620580) is 7-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one.
What is the SMILES notation for 7-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The canonical SMILES for 7-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one is Cc1c(-c2ccnc(OC(F)F)c2)cc2cnn(-c3ncccn3)c(=O)n12.
What is the InChIKey of 7-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The InChIKey is LGLINUFSPRWARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N6O2/c1-10-13(11-3-6-20-14(7-11)27-15(18)19)8-12-9-23-25(17(26)24(10)12)16-21-4-2-5-22-16/h2-9,15H,1H3.
What are the key properties of 7-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
7-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one has a molecular weight of 370.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one is sourced from PubChem (CID 171620580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).