2-(1H-1,2,4-triazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C10H13N5O2 — CID 82862784

IUPAC2-(1H-1,2,4-triazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C(c1ncn[nH]1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C10H13N5O2/c16-8-2-1-7-5-14(3-4-15(7)8)10(17)9-11-6-12-13-9/h6-7H,1-5H2,(H,11,12,13)
InChIKeyVIZPQEJEHJZMLG-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.75
Rot. Bonds1

About 2-(1H-1,2,4-triazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-(1H-1,2,4-triazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82862784) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(1H-1,2,4-triazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82862784
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-(1H-1,2,4-triazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C(c1ncn[nH]1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C10H13N5O2/c16-8-2-1-7-5-14(3-4-15(7)8)10(17)9-11-6-12-13-9/h6-7H,1-5H2,(H,11,12,13)
InChIKeyVIZPQEJEHJZMLG-UHFFFAOYSA-N
XLogP-0.75
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(1H-1,2,4-triazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82862784) is 2-(1H-1,2,4-triazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(1H-1,2,4-triazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(1H-1,2,4-triazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C(c1ncn[nH]1)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-(1H-1,2,4-triazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is VIZPQEJEHJZMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c16-8-2-1-7-5-14(3-4-15(7)8)10(17)9-11-6-12-13-9/h6-7H,1-5H2,(H,11,12,13).
What are the key properties of 2-(1H-1,2,4-triazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(1H-1,2,4-triazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 235.25 g/mol, XLogP of -0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82862784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).