2-[bis(1H-pyrrol-2-yl)methyl]-5-methoxypyrazine

C14H14N4O — CID 171371930

IUPAC2-[bis(1H-pyrrol-2-yl)methyl]-5-methoxypyrazine
SMILESCOc1cnc(C(c2ccc[nH]2)c2ccc[nH]2)cn1
InChIInChI=1S/C14H14N4O/c1-19-13-9-17-12(8-18-13)14(10-4-2-6-15-10)11-5-3-7-16-11/h2-9,14-16H,1H3
InChIKeyXKWASILIQMLZLR-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.32
Rot. Bonds4

About 2-[bis(1H-pyrrol-2-yl)methyl]-5-methoxypyrazine

2-[bis(1H-pyrrol-2-yl)methyl]-5-methoxypyrazine (PubChem CID 171371930) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[bis(1H-pyrrol-2-yl)methyl]-5-methoxypyrazine.

Molecular Properties

Compound Name2-[bis(1H-pyrrol-2-yl)methyl]-5-methoxypyrazine
PubChem CID171371930
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-[bis(1H-pyrrol-2-yl)methyl]-5-methoxypyrazine
SMILESCOc1cnc(C(c2ccc[nH]2)c2ccc[nH]2)cn1
InChIInChI=1S/C14H14N4O/c1-19-13-9-17-12(8-18-13)14(10-4-2-6-15-10)11-5-3-7-16-11/h2-9,14-16H,1H3
InChIKeyXKWASILIQMLZLR-UHFFFAOYSA-N
XLogP2.32
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(1H-pyrrol-2-yl)methyl]-5-methoxypyrazine?
The IUPAC name of 2-[bis(1H-pyrrol-2-yl)methyl]-5-methoxypyrazine (CID 171371930) is 2-[bis(1H-pyrrol-2-yl)methyl]-5-methoxypyrazine.
What is the SMILES notation for 2-[bis(1H-pyrrol-2-yl)methyl]-5-methoxypyrazine?
The canonical SMILES for 2-[bis(1H-pyrrol-2-yl)methyl]-5-methoxypyrazine is COc1cnc(C(c2ccc[nH]2)c2ccc[nH]2)cn1.
What is the InChIKey of 2-[bis(1H-pyrrol-2-yl)methyl]-5-methoxypyrazine?
The InChIKey is XKWASILIQMLZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-19-13-9-17-12(8-18-13)14(10-4-2-6-15-10)11-5-3-7-16-11/h2-9,14-16H,1H3.
What are the key properties of 2-[bis(1H-pyrrol-2-yl)methyl]-5-methoxypyrazine?
2-[bis(1H-pyrrol-2-yl)methyl]-5-methoxypyrazine has a molecular weight of 254.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(1H-pyrrol-2-yl)methyl]-5-methoxypyrazine is sourced from PubChem (CID 171371930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).