2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole

C13H13N3 — CID 133470505

IUPAC2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole
SMILESCc1cncc(N2Cc3ccccc3C2)n1
InChIInChI=1S/C13H13N3/c1-10-6-14-7-13(15-10)16-8-11-4-2-3-5-12(11)9-16/h2-7H,8-9H2,1H3
InChIKeyLGIMNRJRIXKKRX-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.31
Rot. Bonds1

About 2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole

2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole (PubChem CID 133470505) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole
PubChem CID133470505
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole
SMILESCc1cncc(N2Cc3ccccc3C2)n1
InChIInChI=1S/C13H13N3/c1-10-6-14-7-13(15-10)16-8-11-4-2-3-5-12(11)9-16/h2-7H,8-9H2,1H3
InChIKeyLGIMNRJRIXKKRX-UHFFFAOYSA-N
XLogP2.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole?
The IUPAC name of 2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole (CID 133470505) is 2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole is Cc1cncc(N2Cc3ccccc3C2)n1.
What is the InChIKey of 2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole?
The InChIKey is LGIMNRJRIXKKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-10-6-14-7-13(15-10)16-8-11-4-2-3-5-12(11)9-16/h2-7H,8-9H2,1H3.
What are the key properties of 2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole?
2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole has a molecular weight of 211.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole is sourced from PubChem (CID 133470505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).