6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine

C12H12ClN3O — CID 11630185

IUPAC6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine
SMILESClc1cncc(NCCOc2ccccc2)n1
InChIInChI=1S/C12H12ClN3O/c13-11-8-14-9-12(16-11)15-6-7-17-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,15,16)
InChIKeyYODCFAAXTRKCOA-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.62
Rot. Bonds5

About 6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine

6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine (PubChem CID 11630185) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine
PubChem CID11630185
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine
SMILESClc1cncc(NCCOc2ccccc2)n1
InChIInChI=1S/C12H12ClN3O/c13-11-8-14-9-12(16-11)15-6-7-17-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,15,16)
InChIKeyYODCFAAXTRKCOA-UHFFFAOYSA-N
XLogP2.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.62
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

6-hydrazinyl-N-(3-phenoxypropyl)pyrazin-2-amine
CID 80918884
6-chloro-N-(3-phenylpropyl)pyrazin-2-amine
CID 11608477
N-hydroxy-3-[6-(2-phenoxyethylamino)pyrazin-2-yl]prop-2-enamide
CID 136507162
6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine
CID 133398708
6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine
CID 104576969
2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid
CID 114335475
5-methoxy-N-(3-phenoxypropyl)pyridin-2-amine
CID 106504081
6-chloro-N-propylpyrazin-2-amine
CID 26370207
6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine
CID 47151369
6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine
CID 130156889
6-chloro-2-(2-phenoxyethylamino)pyridine-3-carboxylic acid
CID 63380096
N-(3-phenoxypropyl)quinolin-2-amine
CID 60678079

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine?
The IUPAC name of 6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine (CID 11630185) is 6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine is Clc1cncc(NCCOc2ccccc2)n1.
What is the InChIKey of 6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine?
The InChIKey is YODCFAAXTRKCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-11-8-14-9-12(16-11)15-6-7-17-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,15,16).
What are the key properties of 6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine?
6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine has a molecular weight of 249.70 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine is sourced from PubChem (CID 11630185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).