1-(3-methoxypyrazin-2-yl)-3,4-dihydro-2H-naphthalen-1-ol

C15H16N2O2 — CID 104514437

IUPAC1-(3-methoxypyrazin-2-yl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESCOc1nccnc1C1(O)CCCc2ccccc21
InChIInChI=1S/C15H16N2O2/c1-19-14-13(16-9-10-17-14)15(18)8-4-6-11-5-2-3-7-12(11)15/h2-3,5,7,9-10,18H,4,6,8H2,1H3
InChIKeyHJBGDVUKVJKVEG-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.06
Rot. Bonds2

About 1-(3-methoxypyrazin-2-yl)-3,4-dihydro-2H-naphthalen-1-ol

1-(3-methoxypyrazin-2-yl)-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 104514437) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID104514437
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-(3-methoxypyrazin-2-yl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESCOc1nccnc1C1(O)CCCc2ccccc21
InChIInChI=1S/C15H16N2O2/c1-19-14-13(16-9-10-17-14)15(18)8-4-6-11-5-2-3-7-12(11)15/h2-3,5,7,9-10,18H,4,6,8H2,1H3
InChIKeyHJBGDVUKVJKVEG-UHFFFAOYSA-N
XLogP2.06
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-3,4-dihydro-2H-naphthalen-1-ol (CID 104514437) is 1-(3-methoxypyrazin-2-yl)-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-3,4-dihydro-2H-naphthalen-1-ol is COc1nccnc1C1(O)CCCc2ccccc21.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is HJBGDVUKVJKVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-14-13(16-9-10-17-14)15(18)8-4-6-11-5-2-3-7-12(11)15/h2-3,5,7,9-10,18H,4,6,8H2,1H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-3,4-dihydro-2H-naphthalen-1-ol?
1-(3-methoxypyrazin-2-yl)-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 256.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 104514437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).