butyl N-[3-(trifluoromethyl)pyrazin-2-yl]carbamate

C10H12F3N3O2 — CID 138494618

IUPACbutyl N-[3-(trifluoromethyl)pyrazin-2-yl]carbamate
SMILESCCCCOC(=O)Nc1nccnc1C(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c1-2-3-6-18-9(17)16-8-7(10(11,12)13)14-4-5-15-8/h4-5H,2-3,6H2,1H3,(H,15,16,17)
InChIKeyWKGFMULTHVGLRI-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.84
Rot. Bonds4

About butyl N-[3-(trifluoromethyl)pyrazin-2-yl]carbamate

butyl N-[3-(trifluoromethyl)pyrazin-2-yl]carbamate (PubChem CID 138494618) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is butyl N-[3-(trifluoromethyl)pyrazin-2-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[3-(trifluoromethyl)pyrazin-2-yl]carbamate
PubChem CID138494618
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Namebutyl N-[3-(trifluoromethyl)pyrazin-2-yl]carbamate
SMILESCCCCOC(=O)Nc1nccnc1C(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c1-2-3-6-18-9(17)16-8-7(10(11,12)13)14-4-5-15-8/h4-5H,2-3,6H2,1H3,(H,15,16,17)
InChIKeyWKGFMULTHVGLRI-UHFFFAOYSA-N
XLogP2.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl N-[3-(trifluoromethyl)pyrazin-2-yl]carbamate 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

CID 22135188
CID 22135188
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
butyl N-(6-chloro-3-formyl-2-pyridinyl)carbamate
CID 178077855
butyl N-(2-chloro-4-formyl-3-pyridinyl)carbamate
CID 172552242
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
butyl N-(2,6-diethylphenyl)carbamate
CID 19174090
butyl N-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]carbamate
CID 163133686
butyl 6-(trifluoromethyl)pyridine-3-carboxylate
CID 112725076
butyl N-(3-amino-4-fluorophenyl)carbamate
CID 150760184
3-(butoxycarbonylamino)benzoic acid
CID 70253445
butyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate
CID 11311488

Frequently Asked Questions

What is the IUPAC name of butyl N-[3-(trifluoromethyl)pyrazin-2-yl]carbamate?
The IUPAC name of butyl N-[3-(trifluoromethyl)pyrazin-2-yl]carbamate (CID 138494618) is butyl N-[3-(trifluoromethyl)pyrazin-2-yl]carbamate.
What is the SMILES notation for butyl N-[3-(trifluoromethyl)pyrazin-2-yl]carbamate?
The canonical SMILES for butyl N-[3-(trifluoromethyl)pyrazin-2-yl]carbamate is CCCCOC(=O)Nc1nccnc1C(F)(F)F.
What is the InChIKey of butyl N-[3-(trifluoromethyl)pyrazin-2-yl]carbamate?
The InChIKey is WKGFMULTHVGLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-2-3-6-18-9(17)16-8-7(10(11,12)13)14-4-5-15-8/h4-5H,2-3,6H2,1H3,(H,15,16,17).
What are the key properties of butyl N-[3-(trifluoromethyl)pyrazin-2-yl]carbamate?
butyl N-[3-(trifluoromethyl)pyrazin-2-yl]carbamate has a molecular weight of 263.22 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[3-(trifluoromethyl)pyrazin-2-yl]carbamate is sourced from PubChem (CID 138494618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).