(8-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate

C14H12N4O3 — CID 142776099

IUPAC(8-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate
SMILESN#Cc1cc(-c2cccnc2)n2c1CN(OC(=O)O)CC2
InChIInChI=1S/C14H12N4O3/c15-7-11-6-12(10-2-1-3-16-8-10)18-5-4-17(9-13(11)18)21-14(19)20/h1-3,6,8H,4-5,9H2,(H,19,20)
InChIKeyWROWUQKMCCVUEE-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.85
Rot. Bonds2

About (8-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate

(8-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate (PubChem CID 142776099) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is (8-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(8-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate
PubChem CID142776099
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name(8-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate
SMILESN#Cc1cc(-c2cccnc2)n2c1CN(OC(=O)O)CC2
InChIInChI=1S/C14H12N4O3/c15-7-11-6-12(10-2-1-3-16-8-10)18-5-4-17(9-13(11)18)21-14(19)20/h1-3,6,8H,4-5,9H2,(H,19,20)
InChIKeyWROWUQKMCCVUEE-UHFFFAOYSA-N
XLogP1.85
TPSA91.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate?
The IUPAC name of (8-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate (CID 142776099) is (8-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate.
What is the SMILES notation for (8-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate?
The canonical SMILES for (8-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate is N#Cc1cc(-c2cccnc2)n2c1CN(OC(=O)O)CC2.
What is the InChIKey of (8-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate?
The InChIKey is WROWUQKMCCVUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c15-7-11-6-12(10-2-1-3-16-8-10)18-5-4-17(9-13(11)18)21-14(19)20/h1-3,6,8H,4-5,9H2,(H,19,20).
What are the key properties of (8-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate?
(8-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate has a molecular weight of 284.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate is sourced from PubChem (CID 142776099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).