6-(4-fluorophenyl)-1,2,4-triazine-5-carbonitrile

C10H5FN4 — CID 6405068

IUPAC6-(4-fluorophenyl)-1,2,4-triazine-5-carbonitrile
SMILESN#Cc1ncnnc1-c1ccc(F)cc1
InChIInChI=1S/C10H5FN4/c11-8-3-1-7(2-4-8)10-9(5-12)13-6-14-15-10/h1-4,6H
InChIKeyXABDGOCVTVPCRZ-UHFFFAOYSA-N
MW200.18 g/mol
LogP1.55
Rot. Bonds1

About 6-(4-fluorophenyl)-1,2,4-triazine-5-carbonitrile

6-(4-fluorophenyl)-1,2,4-triazine-5-carbonitrile (PubChem CID 6405068) has the molecular formula C10H5FN4 and a molecular weight of 200.18 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1,2,4-triazine-5-carbonitrile.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1,2,4-triazine-5-carbonitrile
PubChem CID6405068
Molecular FormulaC10H5FN4
Molecular Weight200.18 g/mol
Exact Mass200.05
IUPAC Name6-(4-fluorophenyl)-1,2,4-triazine-5-carbonitrile
SMILESN#Cc1ncnnc1-c1ccc(F)cc1
InChIInChI=1S/C10H5FN4/c11-8-3-1-7(2-4-8)10-9(5-12)13-6-14-15-10/h1-4,6H
InChIKeyXABDGOCVTVPCRZ-UHFFFAOYSA-N
XLogP1.55
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1,2,4-triazine-5-carbonitrile?
The IUPAC name of 6-(4-fluorophenyl)-1,2,4-triazine-5-carbonitrile (CID 6405068) is 6-(4-fluorophenyl)-1,2,4-triazine-5-carbonitrile.
What is the SMILES notation for 6-(4-fluorophenyl)-1,2,4-triazine-5-carbonitrile?
The canonical SMILES for 6-(4-fluorophenyl)-1,2,4-triazine-5-carbonitrile is N#Cc1ncnnc1-c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-1,2,4-triazine-5-carbonitrile?
The InChIKey is XABDGOCVTVPCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN4/c11-8-3-1-7(2-4-8)10-9(5-12)13-6-14-15-10/h1-4,6H.
What are the key properties of 6-(4-fluorophenyl)-1,2,4-triazine-5-carbonitrile?
6-(4-fluorophenyl)-1,2,4-triazine-5-carbonitrile has a molecular weight of 200.18 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1,2,4-triazine-5-carbonitrile is sourced from PubChem (CID 6405068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).