6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine

C15H13N3O2 — CID 6538809

IUPAC6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESc1cnc2[nH]c(-c3ccc(C4OCCO4)cc3)cc2n1
InChIInChI=1S/C15H13N3O2/c1-3-11(15-19-7-8-20-15)4-2-10(1)12-9-13-14(18-12)17-6-5-16-13/h1-6,9,15H,7-8H2,(H,17,18)
InChIKeyBTVBGFIJVYXNFJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.67
Rot. Bonds2

About 6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine

6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 6538809) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
PubChem CID6538809
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESc1cnc2[nH]c(-c3ccc(C4OCCO4)cc3)cc2n1
InChIInChI=1S/C15H13N3O2/c1-3-11(15-19-7-8-20-15)4-2-10(1)12-9-13-14(18-12)17-6-5-16-13/h1-6,9,15H,7-8H2,(H,17,18)
InChIKeyBTVBGFIJVYXNFJ-UHFFFAOYSA-N
XLogP2.67
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine (CID 6538809) is 6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine is c1cnc2[nH]c(-c3ccc(C4OCCO4)cc3)cc2n1.
What is the InChIKey of 6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is BTVBGFIJVYXNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-3-11(15-19-7-8-20-15)4-2-10(1)12-9-13-14(18-12)17-6-5-16-13/h1-6,9,15H,7-8H2,(H,17,18).
What are the key properties of 6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 267.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).