N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine

C9H11ClF3N3 — CID 103054211

IUPACN-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(Cc1cnc(Cl)cn1)CC(F)(F)F
InChIInChI=1S/C9H11ClF3N3/c1-2-16(6-9(11,12)13)5-7-3-15-8(10)4-14-7/h3-4H,2,5-6H2,1H3
InChIKeyLSOIGYGMTYRCDR-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.51
Rot. Bonds4

About N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine

N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 103054211) has the molecular formula C9H11ClF3N3 and a molecular weight of 253.65 g/mol. Its IUPAC name is N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID103054211
Molecular FormulaC9H11ClF3N3
Molecular Weight253.65 g/mol
Exact Mass253.06
IUPAC NameN-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(Cc1cnc(Cl)cn1)CC(F)(F)F
InChIInChI=1S/C9H11ClF3N3/c1-2-16(6-9(11,12)13)5-7-3-15-8(10)4-14-7/h3-4H,2,5-6H2,1H3
InChIKeyLSOIGYGMTYRCDR-UHFFFAOYSA-N
XLogP2.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine 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-Chloro-6-methylpyrazine
CID 7170095
2-Chloro-5-methylpyrazine
CID 12600386
2-Chloro-5-(trifluoromethyl)pyrazine
CID 18987645
2-Chloro-6-(trifluoromethyl)pyrazine
CID 20361694
(5-Chloropyrazin-2-yl)methanamine
CID 21714700
2-Chloro-5-(difluoromethyl)pyrazine
CID 84651993
2-Chloro-6-(1,1-difluoroethyl)pyrazine
CID 137526084
3,5-Dichloro-2-(trifluoromethyl)pyrazine
CID 46847209
2-Chloro-5-(1,1-difluoro-ethyl)-pyrazine
CID 122402914
2-(Chloromethyl)-5-(trifluoromethyl)pyrazine
CID 21698256
2-Chloro-6-(2,2,2-trifluoroethyl)pyrazine
CID 53676086
2-Chloro-6-(difluoromethyl)pyrazine
CID 84651994

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine (CID 103054211) is N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine is CCN(Cc1cnc(Cl)cn1)CC(F)(F)F.
What is the InChIKey of N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is LSOIGYGMTYRCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3/c1-2-16(6-9(11,12)13)5-7-3-15-8(10)4-14-7/h3-4H,2,5-6H2,1H3.
What are the key properties of N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine?
N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 253.65 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 103054211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).