(4-fluorophenyl)-(4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)methanone

C12H8FN5O — CID 66499299

IUPAC(4-fluorophenyl)-(4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)methanone
SMILESCc1c(C(=O)c2ccc(F)cc2)nnc2ncnn12
InChIInChI=1S/C12H8FN5O/c1-7-10(16-17-12-14-6-15-18(7)12)11(19)8-2-4-9(13)5-3-8/h2-6H,1H3
InChIKeyOEPHYNFBCWGPEE-UHFFFAOYSA-N
MW257.23 g/mol
LogP1.20
Rot. Bonds2

About (4-fluorophenyl)-(4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)methanone

(4-fluorophenyl)-(4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)methanone (PubChem CID 66499299) has the molecular formula C12H8FN5O and a molecular weight of 257.23 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)methanone
PubChem CID66499299
Molecular FormulaC12H8FN5O
Molecular Weight257.23 g/mol
Exact Mass257.07
IUPAC Name(4-fluorophenyl)-(4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)methanone
SMILESCc1c(C(=O)c2ccc(F)cc2)nnc2ncnn12
InChIInChI=1S/C12H8FN5O/c1-7-10(16-17-12-14-6-15-18(7)12)11(19)8-2-4-9(13)5-3-8/h2-6H,1H3
InChIKeyOEPHYNFBCWGPEE-UHFFFAOYSA-N
XLogP1.20
TPSA73.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)methanone (CID 66499299) is (4-fluorophenyl)-(4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)methanone is Cc1c(C(=O)c2ccc(F)cc2)nnc2ncnn12.
What is the InChIKey of (4-fluorophenyl)-(4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)methanone?
The InChIKey is OEPHYNFBCWGPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5O/c1-7-10(16-17-12-14-6-15-18(7)12)11(19)8-2-4-9(13)5-3-8/h2-6H,1H3.
What are the key properties of (4-fluorophenyl)-(4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)methanone?
(4-fluorophenyl)-(4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)methanone has a molecular weight of 257.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)methanone is sourced from PubChem (CID 66499299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).