ethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine

C14H16N4O — CID 145168511

IUPACethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCC.COc1cc(-c2cnc3[nH]ccc3n2)ccn1
InChIInChI=1S/C12H10N4O.C2H6/c1-17-11-6-8(2-4-13-11)10-7-15-12-9(16-10)3-5-14-12;1-2/h2-7H,1H3,(H,14,15);1-2H3
InChIKeyDTJFCVUMTZICLC-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.05
Rot. Bonds2

About ethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine

ethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 145168511) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is ethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Nameethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID145168511
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Nameethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCC.COc1cc(-c2cnc3[nH]ccc3n2)ccn1
InChIInChI=1S/C12H10N4O.C2H6/c1-17-11-6-8(2-4-13-11)10-7-15-12-9(16-10)3-5-14-12;1-2/h2-7H,1H3,(H,14,15);1-2H3
InChIKeyDTJFCVUMTZICLC-UHFFFAOYSA-N
XLogP3.05
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of ethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine (CID 145168511) is ethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for ethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for ethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine is CC.COc1cc(-c2cnc3[nH]ccc3n2)ccn1.
What is the InChIKey of ethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is DTJFCVUMTZICLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O.C2H6/c1-17-11-6-8(2-4-13-11)10-7-15-12-9(16-10)3-5-14-12;1-2/h2-7H,1H3,(H,14,15);1-2H3.
What are the key properties of ethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine?
ethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 256.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 145168511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).