6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine

C12H10ClF3N4O — CID 133398708

IUPAC6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine
SMILESFC(F)(F)c1cccnc1OCCNc1cncc(Cl)n1
InChIInChI=1S/C12H10ClF3N4O/c13-9-6-17-7-10(20-9)18-4-5-21-11-8(12(14,15)16)2-1-3-19-11/h1-3,6-7H,4-5H2,(H,18,20)
InChIKeyBEGVEKJQHVNFON-UHFFFAOYSA-N
MW318.69 g/mol
LogP3.03
Rot. Bonds5

About 6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine

6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine (PubChem CID 133398708) has the molecular formula C12H10ClF3N4O and a molecular weight of 318.69 g/mol. Its IUPAC name is 6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine
PubChem CID133398708
Molecular FormulaC12H10ClF3N4O
Molecular Weight318.69 g/mol
Exact Mass318.05
IUPAC Name6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine
SMILESFC(F)(F)c1cccnc1OCCNc1cncc(Cl)n1
InChIInChI=1S/C12H10ClF3N4O/c13-9-6-17-7-10(20-9)18-4-5-21-11-8(12(14,15)16)2-1-3-19-11/h1-3,6-7H,4-5H2,(H,18,20)
InChIKeyBEGVEKJQHVNFON-UHFFFAOYSA-N
XLogP3.03
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.69
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine 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

3,6-dimethyl-5-(4-methylpyridin-2-yloxy)-N-(pentan-3-yl)pyrazin-2-amine
CID 44443567
N-(2-ethoxy-3-pyridinyl)-6-methylpyridin-2-amine
CID 11817059
3,6-diethyl-5-(4-methylpyridin-2-yloxy)-N-(pentan-3-yl)pyrazin-2-amine
CID 44443568
N-(1,3-dimethoxypropan-2-yl)-3,6-diethyl-5-(4-methylpyridin-2-yloxy)pyrazin-2-amine
CID 44443569
1-[2-[(5-Chloro-2-pyridinyl)oxy]ethyl]-3-pyridin-2-ylurea
CID 71918765
N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazin-2-amine
CID 172433903
5-chloro-6-(difluoromethyl)-N-(2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propyl)pyrimidin-4-amine
CID 162513911
5-chloro-6-(difluoromethyl)-2-methyl-N-(2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propyl)pyrimidin-4-amine
CID 162513935
5-chloro-N-(3-((5-(trifluoromethyl)pyridin-2-yl)oxy)propyl)-6-ethylpyrimidin-4-amine
CID 162513946
5-chloro-N-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)-2,6-dimethylpyrimidin-4-amine
CID 162513949
5-chloro-N-(2-((5-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)-6-ethyl-2-methylpyrimidin-4-amine
CID 162513962
5-chloro-N-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)-6-ethylpyrimidin-4-amine
CID 162513968

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine (CID 133398708) is 6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine is FC(F)(F)c1cccnc1OCCNc1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine?
The InChIKey is BEGVEKJQHVNFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4O/c13-9-6-17-7-10(20-9)18-4-5-21-11-8(12(14,15)16)2-1-3-19-11/h1-3,6-7H,4-5H2,(H,18,20).
What are the key properties of 6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine?
6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine has a molecular weight of 318.69 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine is sourced from PubChem (CID 133398708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).