2-(6-nitroso-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one

C12H14N4O2 — CID 88913282

IUPAC2-(6-nitroso-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
SMILESO=Nc1ccc(N2CCN3CCCC3C2=O)cn1
InChIInChI=1S/C12H14N4O2/c17-12-10-2-1-5-15(10)6-7-16(12)9-3-4-11(14-18)13-8-9/h3-4,8,10H,1-2,5-7H2
InChIKeySIAMYPOJWIJXNJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.29
Rot. Bonds2

About 2-(6-nitroso-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one

2-(6-nitroso-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 88913282) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(6-nitroso-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2-(6-nitroso-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID88913282
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(6-nitroso-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
SMILESO=Nc1ccc(N2CCN3CCCC3C2=O)cn1
InChIInChI=1S/C12H14N4O2/c17-12-10-2-1-5-15(10)6-7-16(12)9-3-4-11(14-18)13-8-9/h3-4,8,10H,1-2,5-7H2
InChIKeySIAMYPOJWIJXNJ-UHFFFAOYSA-N
XLogP1.29
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-nitroso-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 2-(6-nitroso-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one (CID 88913282) is 2-(6-nitroso-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2-(6-nitroso-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 2-(6-nitroso-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one is O=Nc1ccc(N2CCN3CCCC3C2=O)cn1.
What is the InChIKey of 2-(6-nitroso-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is SIAMYPOJWIJXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12-10-2-1-5-15(10)6-7-16(12)9-3-4-11(14-18)13-8-9/h3-4,8,10H,1-2,5-7H2.
What are the key properties of 2-(6-nitroso-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
2-(6-nitroso-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 246.27 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-nitroso-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 88913282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).