1-pyridin-4-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

C12H13N3 — CID 2770918

IUPAC1-pyridin-4-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESc1cc2n(c1)CCNC2c1ccncc1
InChIInChI=1S/C12H13N3/c1-2-11-12(10-3-5-13-6-4-10)14-7-9-15(11)8-1/h1-6,8,12,14H,7,9H2
InChIKeyMPRZWCUIBYQXCV-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.58
Rot. Bonds1

About 1-pyridin-4-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

1-pyridin-4-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (PubChem CID 2770918) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 1-pyridin-4-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-pyridin-4-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
PubChem CID2770918
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name1-pyridin-4-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESc1cc2n(c1)CCNC2c1ccncc1
InChIInChI=1S/C12H13N3/c1-2-11-12(10-3-5-13-6-4-10)14-7-9-15(11)8-1/h1-6,8,12,14H,7,9H2
InChIKeyMPRZWCUIBYQXCV-UHFFFAOYSA-N
XLogP1.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-pyridin-4-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (CID 2770918) is 1-pyridin-4-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-pyridin-4-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-pyridin-4-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is c1cc2n(c1)CCNC2c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The InChIKey is MPRZWCUIBYQXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-11-12(10-3-5-13-6-4-10)14-7-9-15(11)8-1/h1-6,8,12,14H,7,9H2.
What are the key properties of 1-pyridin-4-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
1-pyridin-4-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine has a molecular weight of 199.26 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 2770918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).