3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

C9H14N4O2 — CID 89486047

IUPAC3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESNC(=O)C1C=CN2CCN(C(N)=O)CC12
InChIInChI=1S/C9H14N4O2/c10-8(14)6-1-2-12-3-4-13(9(11)15)5-7(6)12/h1-2,6-7H,3-5H2,(H2,10,14)(H2,11,15)
InChIKeyJSOPIVOPOCITEB-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.32
Rot. Bonds1

About 3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (PubChem CID 89486047) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.

Molecular Properties

Compound Name3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
PubChem CID89486047
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESNC(=O)C1C=CN2CCN(C(N)=O)CC12
InChIInChI=1S/C9H14N4O2/c10-8(14)6-1-2-12-3-4-13(9(11)15)5-7(6)12/h1-2,6-7H,3-5H2,(H2,10,14)(H2,11,15)
InChIKeyJSOPIVOPOCITEB-UHFFFAOYSA-N
XLogP-1.32
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-oxo-1-azabicyclo[3.2.0]hept-2-ene-4-carboxamide
CID 175197598
3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484204
3,4-dihydroxypyrrolidine-1-carboxamide
CID 21474962
(2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid
CID 163477906
1-(1-methylcyclopropyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide
CID 142521039
3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 130666198
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 78942270
(3S)-3-aminopyrrolidine-1-carboxamide
CID 59841091
(3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride
CID 173100339
9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 79116776
4-cyclopentylpiperazine-1-carboxamide
CID 57205906
3-methylpiperidine-1-carboxamide
CID 16786142

Frequently Asked Questions

What is the IUPAC name of 3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The IUPAC name of 3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (CID 89486047) is 3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.
What is the SMILES notation for 3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The canonical SMILES for 3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is NC(=O)C1C=CN2CCN(C(N)=O)CC12.
What is the InChIKey of 3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The InChIKey is JSOPIVOPOCITEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-8(14)6-1-2-12-3-4-13(9(11)15)5-7(6)12/h1-2,6-7H,3-5H2,(H2,10,14)(H2,11,15).
What are the key properties of 3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide has a molecular weight of 210.24 g/mol, XLogP of -1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is sourced from PubChem (CID 89486047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).