2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile

C16H18N4O — CID 62847896

IUPAC2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile
SMILESCc1cnc(CNC(C)c2ccc(OCC#N)cc2)cn1
InChIInChI=1S/C16H18N4O/c1-12-9-20-15(10-18-12)11-19-13(2)14-3-5-16(6-4-14)21-8-7-17/h3-6,9-10,13,19H,8,11H2,1-2H3
InChIKeyZROHSVPJSINRAA-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.54
Rot. Bonds6

About 2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile

2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile (PubChem CID 62847896) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile
PubChem CID62847896
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile
SMILESCc1cnc(CNC(C)c2ccc(OCC#N)cc2)cn1
InChIInChI=1S/C16H18N4O/c1-12-9-20-15(10-18-12)11-19-13(2)14-3-5-16(6-4-14)21-8-7-17/h3-6,9-10,13,19H,8,11H2,1-2H3
InChIKeyZROHSVPJSINRAA-UHFFFAOYSA-N
XLogP2.54
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 62845690
2-[4-[1-(1,3-thiazol-4-ylmethylamino)ethyl]phenoxy]acetonitrile
CID 63378738
2-[4-[1-(3-aminopropylamino)ethyl]phenoxy]acetonitrile
CID 55021387
2-[4-[1-(octylamino)ethyl]phenoxy]acetonitrile
CID 115566869
2-[4-[1-[(2-bromophenyl)methylamino]ethyl]phenoxy]acetonitrile
CID 61402110
2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103922020
2-[4-[1-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]phenoxy]acetonitrile
CID 103922081
2-[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103921936
2-[4-[1-(pent-4-enylamino)ethyl]phenoxy]acetonitrile
CID 113350674
2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile
CID 106126098
2-[4-[1-(3-cyclopentylpropylamino)ethyl]phenoxy]acetonitrile
CID 103913730
2-[4-[1-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]phenoxy]acetonitrile
CID 81395331

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile (CID 62847896) is 2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile is Cc1cnc(CNC(C)c2ccc(OCC#N)cc2)cn1.
What is the InChIKey of 2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile?
The InChIKey is ZROHSVPJSINRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12-9-20-15(10-18-12)11-19-13(2)14-3-5-16(6-4-14)21-8-7-17/h3-6,9-10,13,19H,8,11H2,1-2H3.
What are the key properties of 2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile?
2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile has a molecular weight of 282.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile is sourced from PubChem (CID 62847896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).