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

C10H11N3O3 — CID 142776085

IUPAC(8-cyano-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate
SMILESCc1cc(C#N)c2n1CCN(OC(=O)O)C2
InChIInChI=1S/C10H11N3O3/c1-7-4-8(5-11)9-6-12(16-10(14)15)2-3-13(7)9/h4H,2-3,6H2,1H3,(H,14,15)
InChIKeyLGNGJPBDIMOPOK-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.09
Rot. Bonds1

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

(8-cyano-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate (PubChem CID 142776085) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is (8-cyano-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(8-cyano-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate
PubChem CID142776085
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name(8-cyano-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate
SMILESCc1cc(C#N)c2n1CCN(OC(=O)O)C2
InChIInChI=1S/C10H11N3O3/c1-7-4-8(5-11)9-6-12(16-10(14)15)2-3-13(7)9/h4H,2-3,6H2,1H3,(H,14,15)
InChIKeyLGNGJPBDIMOPOK-UHFFFAOYSA-N
XLogP1.09
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(8-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate
CID 142776099
8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
CID 89486449
2-cyano-5-methylbenzoic acid
CID 66570727
tert-butyl 8-cyano-6-(4-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
CID 68888036
3-bromo-5-cyano-4-methylbenzoic acid
CID 130822549
7-cyano-6-(2-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
CID 141064683
3-cyano-4-methylbenzoic acid
CID 10012188
1-(2-cyano-4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 107926648
2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide
CID 62921927
3-cyano-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzoic acid
CID 106315228
2-(3,5-dicyano-4-methylphenoxy)acetamide
CID 70807805
2,5-dimethylbenzoic acid;2,5-dimethylbenzonitrile
CID 160621649

Frequently Asked Questions

What is the IUPAC name of (8-cyano-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate?
The IUPAC name of (8-cyano-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate (CID 142776085) is (8-cyano-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate.
What is the SMILES notation for (8-cyano-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate?
The canonical SMILES for (8-cyano-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate is Cc1cc(C#N)c2n1CCN(OC(=O)O)C2.
What is the InChIKey of (8-cyano-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate?
The InChIKey is LGNGJPBDIMOPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-7-4-8(5-11)9-6-12(16-10(14)15)2-3-13(7)9/h4H,2-3,6H2,1H3,(H,14,15).
What are the key properties of (8-cyano-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate?
(8-cyano-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate has a molecular weight of 221.22 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-cyano-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate is sourced from PubChem (CID 142776085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).