[5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrazin-2-yl]methanol

C10H12F3N3O — CID 107372801

IUPAC[5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrazin-2-yl]methanol
SMILESOCc1cnc(N(CC(F)(F)F)C2CC2)cn1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)6-16(8-1-2-8)9-4-14-7(5-17)3-15-9/h3-4,8,17H,1-2,5-6H2
InChIKeyZFXYAECYXPSBSA-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.50
Rot. Bonds4

About [5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrazin-2-yl]methanol

[5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrazin-2-yl]methanol (PubChem CID 107372801) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is [5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrazin-2-yl]methanol
PubChem CID107372801
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name[5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrazin-2-yl]methanol
SMILESOCc1cnc(N(CC(F)(F)F)C2CC2)cn1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)6-16(8-1-2-8)9-4-14-7(5-17)3-15-9/h3-4,8,17H,1-2,5-6H2
InChIKeyZFXYAECYXPSBSA-UHFFFAOYSA-N
XLogP1.50
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
CID 107379370
[5-[cyclopropyl(prop-2-enyl)amino]pyrazin-2-yl]methanol
CID 107372934
6-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
CID 66457235
[5-[methyl-(4-methylcyclohexyl)amino]pyrazin-2-yl]methanol
CID 107372760
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62283700
5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 107082231
5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80630541
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]pyrazin-2-amine
CID 103055789
N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66320184
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile
CID 115487615
4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80815200
5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
CID 55009351

Frequently Asked Questions

What is the IUPAC name of [5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrazin-2-yl]methanol?
The IUPAC name of [5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrazin-2-yl]methanol (CID 107372801) is [5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrazin-2-yl]methanol is OCc1cnc(N(CC(F)(F)F)C2CC2)cn1.
What is the InChIKey of [5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrazin-2-yl]methanol?
The InChIKey is ZFXYAECYXPSBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)6-16(8-1-2-8)9-4-14-7(5-17)3-15-9/h3-4,8,17H,1-2,5-6H2.
What are the key properties of [5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrazin-2-yl]methanol?
[5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrazin-2-yl]methanol has a molecular weight of 247.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrazin-2-yl]methanol is sourced from PubChem (CID 107372801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).