[5-(trifluoromethyl)pyrazin-2-yl]urea

C6H5F3N4O — CID 141057534

IUPAC[5-(trifluoromethyl)pyrazin-2-yl]urea
SMILESNC(=O)Nc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C6H5F3N4O/c7-6(8,9)3-1-12-4(2-11-3)13-5(10)14/h1-2H,(H3,10,12,13,14)
InChIKeyFDPGLXSGGNIGGP-UHFFFAOYSA-N
MW206.13 g/mol
LogP0.99
Rot. Bonds1

About [5-(trifluoromethyl)pyrazin-2-yl]urea

[5-(trifluoromethyl)pyrazin-2-yl]urea (PubChem CID 141057534) has the molecular formula C6H5F3N4O and a molecular weight of 206.13 g/mol. Its IUPAC name is [5-(trifluoromethyl)pyrazin-2-yl]urea.

Molecular Properties

Compound Name[5-(trifluoromethyl)pyrazin-2-yl]urea
PubChem CID141057534
Molecular FormulaC6H5F3N4O
Molecular Weight206.13 g/mol
Exact Mass206.04
IUPAC Name[5-(trifluoromethyl)pyrazin-2-yl]urea
SMILESNC(=O)Nc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C6H5F3N4O/c7-6(8,9)3-1-12-4(2-11-3)13-5(10)14/h1-2H,(H3,10,12,13,14)
InChIKeyFDPGLXSGGNIGGP-UHFFFAOYSA-N
XLogP0.99
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-(trifluoromethyl)pyrazin-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Pteridinol
CID 590556
3-pentan-3-yl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 24815250
6-methyl-1H-pteridin-2-one
CID 595633
6-(Trifluoromethyl)pyrazin-2-amine
CID 13341114
5-(Trifluoromethyl)pyrazin-2-amine
CID 13341115
3-(Trifluoromethyl)pyrazin-2-amine
CID 25069463
3,5-Bis(trifluoromethyl)pyrazin-2-amine
CID 130116246
pteridin-2(1H)-one, 7-methyl-
CID 145826284
Pteridine, 2-hydroxy-4-methylamino-
CID 133672328
2-Piperazin-1-yl-6-(trifluoromethyl)pyrazine
CID 20290696
2-Piperazin-1-yl-6-(trifluoromethyl)pyrazine;hydrochloride
CID 20361695
Pyrazine, 2-isocyanato-5-(trifluoromethyl)-
CID 20567021

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)pyrazin-2-yl]urea?
The IUPAC name of [5-(trifluoromethyl)pyrazin-2-yl]urea (CID 141057534) is [5-(trifluoromethyl)pyrazin-2-yl]urea.
What is the SMILES notation for [5-(trifluoromethyl)pyrazin-2-yl]urea?
The canonical SMILES for [5-(trifluoromethyl)pyrazin-2-yl]urea is NC(=O)Nc1cnc(C(F)(F)F)cn1.
What is the InChIKey of [5-(trifluoromethyl)pyrazin-2-yl]urea?
The InChIKey is FDPGLXSGGNIGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N4O/c7-6(8,9)3-1-12-4(2-11-3)13-5(10)14/h1-2H,(H3,10,12,13,14).
What are the key properties of [5-(trifluoromethyl)pyrazin-2-yl]urea?
[5-(trifluoromethyl)pyrazin-2-yl]urea has a molecular weight of 206.13 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)pyrazin-2-yl]urea is sourced from PubChem (CID 141057534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).