[5-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methanol

C10H13N3O — CID 107372980

IUPAC[5-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methanol
SMILESOCc1cnc(N2CC=CCC2)cn1
InChIInChI=1S/C10H13N3O/c14-8-9-6-12-10(7-11-9)13-4-2-1-3-5-13/h1-2,6-7,14H,3-5,8H2
InChIKeySXEQWUBYJSRFOU-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.74
Rot. Bonds2

About [5-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methanol

[5-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methanol (PubChem CID 107372980) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is [5-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methanol
PubChem CID107372980
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name[5-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methanol
SMILESOCc1cnc(N2CC=CCC2)cn1
InChIInChI=1S/C10H13N3O/c14-8-9-6-12-10(7-11-9)13-4-2-1-3-5-13/h1-2,6-7,14H,3-5,8H2
InChIKeySXEQWUBYJSRFOU-UHFFFAOYSA-N
XLogP0.74
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methanol?
The IUPAC name of [5-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methanol (CID 107372980) is [5-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methanol.
What is the SMILES notation for [5-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methanol?
The canonical SMILES for [5-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methanol is OCc1cnc(N2CC=CCC2)cn1.
What is the InChIKey of [5-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methanol?
The InChIKey is SXEQWUBYJSRFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-8-9-6-12-10(7-11-9)13-4-2-1-3-5-13/h1-2,6-7,14H,3-5,8H2.
What are the key properties of [5-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methanol?
[5-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methanol has a molecular weight of 191.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methanol is sourced from PubChem (CID 107372980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).