3-[(6-methylpyrazin-2-yl)methyl]-1H-indole

C14H13N3 — CID 139586662

IUPAC3-[(6-methylpyrazin-2-yl)methyl]-1H-indole
SMILESCc1cncc(Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H13N3/c1-10-7-15-9-12(17-10)6-11-8-16-14-5-3-2-4-13(11)14/h2-5,7-9,16H,6H2,1H3
InChIKeyTXUIOGQWBZRYCG-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.86
Rot. Bonds2

About 3-[(6-methylpyrazin-2-yl)methyl]-1H-indole

3-[(6-methylpyrazin-2-yl)methyl]-1H-indole (PubChem CID 139586662) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[(6-methylpyrazin-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(6-methylpyrazin-2-yl)methyl]-1H-indole
PubChem CID139586662
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name3-[(6-methylpyrazin-2-yl)methyl]-1H-indole
SMILESCc1cncc(Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H13N3/c1-10-7-15-9-12(17-10)6-11-8-16-14-5-3-2-4-13(11)14/h2-5,7-9,16H,6H2,1H3
InChIKeyTXUIOGQWBZRYCG-UHFFFAOYSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methylpyrazin-2-yl)methyl]-1H-indole?
The IUPAC name of 3-[(6-methylpyrazin-2-yl)methyl]-1H-indole (CID 139586662) is 3-[(6-methylpyrazin-2-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[(6-methylpyrazin-2-yl)methyl]-1H-indole?
The canonical SMILES for 3-[(6-methylpyrazin-2-yl)methyl]-1H-indole is Cc1cncc(Cc2c[nH]c3ccccc23)n1.
What is the InChIKey of 3-[(6-methylpyrazin-2-yl)methyl]-1H-indole?
The InChIKey is TXUIOGQWBZRYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-7-15-9-12(17-10)6-11-8-16-14-5-3-2-4-13(11)14/h2-5,7-9,16H,6H2,1H3.
What are the key properties of 3-[(6-methylpyrazin-2-yl)methyl]-1H-indole?
3-[(6-methylpyrazin-2-yl)methyl]-1H-indole has a molecular weight of 223.28 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylpyrazin-2-yl)methyl]-1H-indole is sourced from PubChem (CID 139586662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).