2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile

C15H16N4O — CID 62847895

IUPAC2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile
SMILESCc1cnc(CNCc2ccccc2OCC#N)cn1
InChIInChI=1S/C15H16N4O/c1-12-8-19-14(11-18-12)10-17-9-13-4-2-3-5-15(13)20-7-6-16/h2-5,8,11,17H,7,9-10H2,1H3
InChIKeyOAJTYDGQJVCAHN-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.98
Rot. Bonds6

About 2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile

2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile (PubChem CID 62847895) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile
PubChem CID62847895
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile
SMILESCc1cnc(CNCc2ccccc2OCC#N)cn1
InChIInChI=1S/C15H16N4O/c1-12-8-19-14(11-18-12)10-17-9-13-4-2-3-5-15(13)20-7-6-16/h2-5,8,11,17H,7,9-10H2,1H3
InChIKeyOAJTYDGQJVCAHN-UHFFFAOYSA-N
XLogP1.98
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile 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

N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 62848075
2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
2-[2-[(1,2-oxazol-3-ylmethylamino)methyl]phenoxy]acetonitrile
CID 81170413
1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62846595
2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile
CID 62846098
2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile
CID 63242767
2-[2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetonitrile
CID 105414765
2-[2-[(3,5-dimethylanilino)methyl]phenoxy]acetonitrile
CID 43763950
2-[2-[(4-bromo-3,5-dimethylanilino)methyl]phenoxy]acetonitrile
CID 107571945
3-[[[2-(cyanomethoxy)phenyl]methylamino]methyl]benzonitrile
CID 60917756
2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile
CID 107411817
2-(2-ethylphenoxy)acetonitrile
CID 22688439

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile (CID 62847895) is 2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile is Cc1cnc(CNCc2ccccc2OCC#N)cn1.
What is the InChIKey of 2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile?
The InChIKey is OAJTYDGQJVCAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-12-8-19-14(11-18-12)10-17-9-13-4-2-3-5-15(13)20-7-6-16/h2-5,8,11,17H,7,9-10H2,1H3.
What are the key properties of 2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile?
2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile has a molecular weight of 268.32 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile is sourced from PubChem (CID 62847895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).