6-chloro-5-(trifluoromethyl)pyrazin-2-amine

C5H3ClF3N3 — CID 155822449

IUPAC6-chloro-5-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cnc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C5H3ClF3N3/c6-4-3(5(7,8)9)11-1-2(10)12-4/h1H,(H2,10,12)
InChIKeyAREBWQWMVIMNEK-UHFFFAOYSA-N
MW197.55 g/mol
LogP1.73
Rot. Bonds

About 6-chloro-5-(trifluoromethyl)pyrazin-2-amine

6-chloro-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 155822449) has the molecular formula C5H3ClF3N3 and a molecular weight of 197.55 g/mol. Its IUPAC name is 6-chloro-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-5-(trifluoromethyl)pyrazin-2-amine
PubChem CID155822449
Molecular FormulaC5H3ClF3N3
Molecular Weight197.55 g/mol
Exact Mass197.00
IUPAC Name6-chloro-5-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cnc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C5H3ClF3N3/c6-4-3(5(7,8)9)11-1-2(10)12-4/h1H,(H2,10,12)
InChIKeyAREBWQWMVIMNEK-UHFFFAOYSA-N
XLogP1.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.55
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Trifluoromethyl)pyrazin-2-amine
CID 13341114
5-(Trifluoromethyl)pyrazin-2-amine
CID 13341115
3-(Trifluoromethyl)pyrazin-2-amine
CID 25069463
5-Chloro-3-(trifluoromethyl)pyrazin-2-amine
CID 71299184
3,5-Bis(trifluoromethyl)pyrazin-2-amine
CID 130116246
3-Chloro-5-(trifluoromethyl)pyrazin-2-amine
CID 72213160
3-Bromo-5-(trifluoromethyl)pyrazin-2-amine
CID 130115055
3-Chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carbonitrile
CID 139041020
6-Chloro-5-ethynylpyrazin-2-amine
CID 165990519
N'-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide
CID 164682792
N'-[6-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide
CID 164682874
3-Chloro-5-methylpyrazin-2-amine
CID 15149676

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 6-chloro-5-(trifluoromethyl)pyrazin-2-amine (CID 155822449) is 6-chloro-5-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-5-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-5-(trifluoromethyl)pyrazin-2-amine is Nc1cnc(C(F)(F)F)c(Cl)n1.
What is the InChIKey of 6-chloro-5-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is AREBWQWMVIMNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3N3/c6-4-3(5(7,8)9)11-1-2(10)12-4/h1H,(H2,10,12).
What are the key properties of 6-chloro-5-(trifluoromethyl)pyrazin-2-amine?
6-chloro-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 197.55 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 155822449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).