2-[4-[1-(3-methylpyrazin-2-yl)ethylamino]phenoxy]acetonitrile

C15H16N4O — CID 102613239

IUPAC2-[4-[1-(3-methylpyrazin-2-yl)ethylamino]phenoxy]acetonitrile
SMILESCc1nccnc1C(C)Nc1ccc(OCC#N)cc1
InChIInChI=1S/C15H16N4O/c1-11-15(18-9-8-17-11)12(2)19-13-3-5-14(6-4-13)20-10-7-16/h3-6,8-9,12,19H,10H2,1-2H3
InChIKeyKEFGTTGNCBYVSW-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.86
Rot. Bonds5

About 2-[4-[1-(3-methylpyrazin-2-yl)ethylamino]phenoxy]acetonitrile

2-[4-[1-(3-methylpyrazin-2-yl)ethylamino]phenoxy]acetonitrile (PubChem CID 102613239) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[4-[1-(3-methylpyrazin-2-yl)ethylamino]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[1-(3-methylpyrazin-2-yl)ethylamino]phenoxy]acetonitrile
PubChem CID102613239
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[4-[1-(3-methylpyrazin-2-yl)ethylamino]phenoxy]acetonitrile
SMILESCc1nccnc1C(C)Nc1ccc(OCC#N)cc1
InChIInChI=1S/C15H16N4O/c1-11-15(18-9-8-17-11)12(2)19-13-3-5-14(6-4-13)20-10-7-16/h3-6,8-9,12,19H,10H2,1-2H3
InChIKeyKEFGTTGNCBYVSW-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[1-(4-methylphenyl)ethylamino]phenoxy]acetonitrile
CID 43203276
N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 102613167
N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102612936
2-[4-[1-(3,4-dichlorophenyl)ethylamino]phenoxy]acetonitrile
CID 43104190
2-[4-[1-(3,5-dihydroxyphenyl)ethylamino]phenoxy]acetonitrile
CID 107705213
2-[4-[(3-methoxy-3-methylbutan-2-yl)amino]phenoxy]acetonitrile
CID 114228123
2-[4-[1-(2-chlorophenyl)ethylamino]phenoxy]acetonitrile
CID 43181580
2-[4-(heptan-4-ylamino)phenoxy]acetonitrile
CID 28653352
methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate
CID 61458467
2-[4-[1-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]phenoxy]acetonitrile
CID 81395331
2-[4-(nonan-2-ylamino)phenoxy]acetonitrile
CID 43129975
2-[4-(octan-2-ylamino)phenoxy]acetonitrile
CID 43129974

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-methylpyrazin-2-yl)ethylamino]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[1-(3-methylpyrazin-2-yl)ethylamino]phenoxy]acetonitrile (CID 102613239) is 2-[4-[1-(3-methylpyrazin-2-yl)ethylamino]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[1-(3-methylpyrazin-2-yl)ethylamino]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[1-(3-methylpyrazin-2-yl)ethylamino]phenoxy]acetonitrile is Cc1nccnc1C(C)Nc1ccc(OCC#N)cc1.
What is the InChIKey of 2-[4-[1-(3-methylpyrazin-2-yl)ethylamino]phenoxy]acetonitrile?
The InChIKey is KEFGTTGNCBYVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-15(18-9-8-17-11)12(2)19-13-3-5-14(6-4-13)20-10-7-16/h3-6,8-9,12,19H,10H2,1-2H3.
What are the key properties of 2-[4-[1-(3-methylpyrazin-2-yl)ethylamino]phenoxy]acetonitrile?
2-[4-[1-(3-methylpyrazin-2-yl)ethylamino]phenoxy]acetonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-methylpyrazin-2-yl)ethylamino]phenoxy]acetonitrile is sourced from PubChem (CID 102613239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).