3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine

C9H12F3N3O — CID 83064425

IUPAC3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
SMILESCc1nccnc1NCCOCC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-7-8(14-3-2-13-7)15-4-5-16-6-9(10,11)12/h2-3H,4-6H2,1H3,(H,14,15)
InChIKeyCCRGWQYZRHHOTD-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.78
Rot. Bonds5

About 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine

3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine (PubChem CID 83064425) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
PubChem CID83064425
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
SMILESCc1nccnc1NCCOCC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-7-8(14-3-2-13-7)15-4-5-16-6-9(10,11)12/h2-3H,4-6H2,1H3,(H,14,15)
InChIKeyCCRGWQYZRHHOTD-UHFFFAOYSA-N
XLogP1.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-3-methylpyrazin-2-amine
CID 83064556
3-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 63828444
6-chloro-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 63833719
5-fluoro-2-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine
CID 80846653
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492510
N-(4-methoxybutyl)-3-methylpyrazin-2-amine
CID 83063291
3,5-dichloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 60730538
6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 80910998
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine
CID 63828976
2-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]quinazoline-2,4-diamine
CID 80819151
2-ethyl-5-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80984168
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492242

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine?
The IUPAC name of 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine (CID 83064425) is 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine?
The canonical SMILES for 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine is Cc1nccnc1NCCOCC(F)(F)F.
What is the InChIKey of 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine?
The InChIKey is CCRGWQYZRHHOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-7-8(14-3-2-13-7)15-4-5-16-6-9(10,11)12/h2-3H,4-6H2,1H3,(H,14,15).
What are the key properties of 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine?
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine has a molecular weight of 235.21 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine is sourced from PubChem (CID 83064425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).