1-pentyl-2,3,4,4a-tetrahydropyrrolo[2,3-b]pyrazine

C11H19N3 — CID 66971374

IUPAC1-pentyl-2,3,4,4a-tetrahydropyrrolo[2,3-b]pyrazine
SMILESCCCCCN1CCNC2N=CC=C21
InChIInChI=1S/C11H19N3/c1-2-3-4-8-14-9-7-13-11-10(14)5-6-12-11/h5-6,11,13H,2-4,7-9H2,1H3
InChIKeyRQHYQWRBMILLAK-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.38
Rot. Bonds4

About 1-pentyl-2,3,4,4a-tetrahydropyrrolo[2,3-b]pyrazine

1-pentyl-2,3,4,4a-tetrahydropyrrolo[2,3-b]pyrazine (PubChem CID 66971374) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-pentyl-2,3,4,4a-tetrahydropyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name1-pentyl-2,3,4,4a-tetrahydropyrrolo[2,3-b]pyrazine
PubChem CID66971374
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-pentyl-2,3,4,4a-tetrahydropyrrolo[2,3-b]pyrazine
SMILESCCCCCN1CCNC2N=CC=C21
InChIInChI=1S/C11H19N3/c1-2-3-4-8-14-9-7-13-11-10(14)5-6-12-11/h5-6,11,13H,2-4,7-9H2,1H3
InChIKeyRQHYQWRBMILLAK-UHFFFAOYSA-N
XLogP1.38
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pentyl-2,3,4,4a-tetrahydropyrrolo[2,3-b]pyrazine?
The IUPAC name of 1-pentyl-2,3,4,4a-tetrahydropyrrolo[2,3-b]pyrazine (CID 66971374) is 1-pentyl-2,3,4,4a-tetrahydropyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 1-pentyl-2,3,4,4a-tetrahydropyrrolo[2,3-b]pyrazine?
The canonical SMILES for 1-pentyl-2,3,4,4a-tetrahydropyrrolo[2,3-b]pyrazine is CCCCCN1CCNC2N=CC=C21.
What is the InChIKey of 1-pentyl-2,3,4,4a-tetrahydropyrrolo[2,3-b]pyrazine?
The InChIKey is RQHYQWRBMILLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-3-4-8-14-9-7-13-11-10(14)5-6-12-11/h5-6,11,13H,2-4,7-9H2,1H3.
What are the key properties of 1-pentyl-2,3,4,4a-tetrahydropyrrolo[2,3-b]pyrazine?
1-pentyl-2,3,4,4a-tetrahydropyrrolo[2,3-b]pyrazine has a molecular weight of 193.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2,3,4,4a-tetrahydropyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 66971374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).