1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

C13H14ClN3 — CID 62846595

IUPAC1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2ccccc2Cl)cn1
InChIInChI=1S/C13H14ClN3/c1-10-6-17-12(9-16-10)8-15-7-11-4-2-3-5-13(11)14/h2-6,9,15H,7-8H2,1H3
InChIKeyQDSOMIYHLNTPMH-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.73
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (PubChem CID 62846595) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
PubChem CID62846595
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2ccccc2Cl)cn1
InChIInChI=1S/C13H14ClN3/c1-10-6-17-12(9-16-10)8-15-7-11-4-2-3-5-13(11)14/h2-6,9,15H,7-8H2,1H3
InChIKeyQDSOMIYHLNTPMH-UHFFFAOYSA-N
XLogP2.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60961132
1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 114842312
N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 62848075
3-chloro-N'-hydroxy-4-[[(5-methylpyrazin-2-yl)methylamino]methyl]benzenecarboximidamide
CID 102667128
1-(1-benzothiophen-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62848267
4-[[(5-methylpyrazin-2-yl)methylamino]methyl]benzene-1,2,3-triol
CID 107730827
1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 60777845
N',N'-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]ethane-1,2-diamine
CID 62845919
2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 80695023
1-(4-chloro-2-nitrophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62845547
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78920973
N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine
CID 62848270

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (CID 62846595) is 1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is Cc1cnc(CNCc2ccccc2Cl)cn1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The InChIKey is QDSOMIYHLNTPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-10-6-17-12(9-16-10)8-15-7-11-4-2-3-5-13(11)14/h2-6,9,15H,7-8H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine has a molecular weight of 247.73 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is sourced from PubChem (CID 62846595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).