(3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol

C16H18N2O2 — CID 104515113

IUPAC(3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol
SMILESCOc1nccnc1C(O)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H18N2O2/c1-20-15-13(17-10-11-18-15)14(19)16(8-5-9-16)12-6-3-2-4-7-12/h2-4,6-7,10-11,14,19H,5,8-9H2,1H3
InChIKeyUWXZDPQGGKRUMI-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.64
Rot. Bonds4

About (3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol

(3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol (PubChem CID 104515113) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol.

Molecular Properties

Compound Name(3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol
PubChem CID104515113
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol
SMILESCOc1nccnc1C(O)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H18N2O2/c1-20-15-13(17-10-11-18-15)14(19)16(8-5-9-16)12-6-3-2-4-7-12/h2-4,6-7,10-11,14,19H,5,8-9H2,1H3
InChIKeyUWXZDPQGGKRUMI-UHFFFAOYSA-N
XLogP2.64
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol?
The IUPAC name of (3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol (CID 104515113) is (3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol.
What is the SMILES notation for (3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol?
The canonical SMILES for (3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol is COc1nccnc1C(O)C1(c2ccccc2)CCC1.
What is the InChIKey of (3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol?
The InChIKey is UWXZDPQGGKRUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-15-13(17-10-11-18-15)14(19)16(8-5-9-16)12-6-3-2-4-7-12/h2-4,6-7,10-11,14,19H,5,8-9H2,1H3.
What are the key properties of (3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol?
(3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol has a molecular weight of 270.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol is sourced from PubChem (CID 104515113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).