1-adamantyl(pyrazin-2-yl)methanol

C15H20N2O — CID 63968595

IUPAC1-adamantyl(pyrazin-2-yl)methanol
SMILESOC(c1cnccn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20N2O/c18-14(13-9-16-1-2-17-13)15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12,14,18H,3-8H2
InChIKeyDSAVQKGKRLQRJH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.73
Rot. Bonds2

About 1-adamantyl(pyrazin-2-yl)methanol

1-adamantyl(pyrazin-2-yl)methanol (PubChem CID 63968595) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-adamantyl(pyrazin-2-yl)methanol.

Molecular Properties

Compound Name1-adamantyl(pyrazin-2-yl)methanol
PubChem CID63968595
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-adamantyl(pyrazin-2-yl)methanol
SMILESOC(c1cnccn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20N2O/c18-14(13-9-16-1-2-17-13)15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12,14,18H,3-8H2
InChIKeyDSAVQKGKRLQRJH-UHFFFAOYSA-N
XLogP2.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(pyrazin-2-yl)methanol?
The IUPAC name of 1-adamantyl(pyrazin-2-yl)methanol (CID 63968595) is 1-adamantyl(pyrazin-2-yl)methanol.
What is the SMILES notation for 1-adamantyl(pyrazin-2-yl)methanol?
The canonical SMILES for 1-adamantyl(pyrazin-2-yl)methanol is OC(c1cnccn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(pyrazin-2-yl)methanol?
The InChIKey is DSAVQKGKRLQRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-14(13-9-16-1-2-17-13)15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12,14,18H,3-8H2.
What are the key properties of 1-adamantyl(pyrazin-2-yl)methanol?
1-adamantyl(pyrazin-2-yl)methanol has a molecular weight of 244.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(pyrazin-2-yl)methanol is sourced from PubChem (CID 63968595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).