3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile

C15H16N4O — CID 107660576

IUPAC3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile
SMILESCCNc1cnc(COc2cc(C#N)ccc2C)cn1
InChIInChI=1S/C15H16N4O/c1-3-17-15-9-18-13(8-19-15)10-20-14-6-12(7-16)5-4-11(14)2/h4-6,8-9H,3,10H2,1-2H3,(H,17,19)
InChIKeyOIQQKVIRBINRSA-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.67
Rot. Bonds5

About 3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile

3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile (PubChem CID 107660576) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile
PubChem CID107660576
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile
SMILESCCNc1cnc(COc2cc(C#N)ccc2C)cn1
InChIInChI=1S/C15H16N4O/c1-3-17-15-9-18-13(8-19-15)10-20-14-6-12(7-16)5-4-11(14)2/h4-6,8-9H,3,10H2,1-2H3,(H,17,19)
InChIKeyOIQQKVIRBINRSA-UHFFFAOYSA-N
XLogP2.67
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile
CID 103058089
5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103058135
5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059015
4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile
CID 107660604
4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
CID 107660580
3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
CID 103760415
5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103058495
5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059297
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]oxy-4-methylbenzonitrile
CID 107662559
4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile
CID 103054689
3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile
CID 107663258
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile
CID 103760082

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile?
The IUPAC name of 3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile (CID 107660576) is 3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile.
What is the SMILES notation for 3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile?
The canonical SMILES for 3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile is CCNc1cnc(COc2cc(C#N)ccc2C)cn1.
What is the InChIKey of 3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile?
The InChIKey is OIQQKVIRBINRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-17-15-9-18-13(8-19-15)10-20-14-6-12(7-16)5-4-11(14)2/h4-6,8-9H,3,10H2,1-2H3,(H,17,19).
What are the key properties of 3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile?
3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile is sourced from PubChem (CID 107660576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).