(4-cyclopropylphenyl)-pyrazin-2-ylmethanol

C14H14N2O — CID 79980418

IUPAC(4-cyclopropylphenyl)-pyrazin-2-ylmethanol
SMILESOC(c1ccc(C2CC2)cc1)c1cnccn1
InChIInChI=1S/C14H14N2O/c17-14(13-9-15-7-8-16-13)12-5-3-11(4-6-12)10-1-2-10/h3-10,14,17H,1-2H2
InChIKeyFQUCHBOCSOKPMA-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.44
Rot. Bonds3

About (4-cyclopropylphenyl)-pyrazin-2-ylmethanol

(4-cyclopropylphenyl)-pyrazin-2-ylmethanol (PubChem CID 79980418) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (4-cyclopropylphenyl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(4-cyclopropylphenyl)-pyrazin-2-ylmethanol
PubChem CID79980418
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(4-cyclopropylphenyl)-pyrazin-2-ylmethanol
SMILESOC(c1ccc(C2CC2)cc1)c1cnccn1
InChIInChI=1S/C14H14N2O/c17-14(13-9-15-7-8-16-13)12-5-3-11(4-6-12)10-1-2-10/h3-10,14,17H,1-2H2
InChIKeyFQUCHBOCSOKPMA-UHFFFAOYSA-N
XLogP2.44
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylphenyl)-pyrazin-2-ylmethanol?
The IUPAC name of (4-cyclopropylphenyl)-pyrazin-2-ylmethanol (CID 79980418) is (4-cyclopropylphenyl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (4-cyclopropylphenyl)-pyrazin-2-ylmethanol?
The canonical SMILES for (4-cyclopropylphenyl)-pyrazin-2-ylmethanol is OC(c1ccc(C2CC2)cc1)c1cnccn1.
What is the InChIKey of (4-cyclopropylphenyl)-pyrazin-2-ylmethanol?
The InChIKey is FQUCHBOCSOKPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14(13-9-15-7-8-16-13)12-5-3-11(4-6-12)10-1-2-10/h3-10,14,17H,1-2H2.
What are the key properties of (4-cyclopropylphenyl)-pyrazin-2-ylmethanol?
(4-cyclopropylphenyl)-pyrazin-2-ylmethanol has a molecular weight of 226.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylphenyl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 79980418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).