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

C12H17N5O2 — CID 82857155

IUPAC2-(4-amino-1-methylpyrazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCn1ncc(N)c1C(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C12H17N5O2/c1-15-11(9(13)6-14-15)12(19)16-4-5-17-8(7-16)2-3-10(17)18/h6,8H,2-5,7,13H2,1H3
InChIKeyTVMQFDLQFUYQLA-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.55
Rot. Bonds1

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

2-(4-amino-1-methylpyrazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82857155) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(4-amino-1-methylpyrazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(4-amino-1-methylpyrazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82857155
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-(4-amino-1-methylpyrazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCn1ncc(N)c1C(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C12H17N5O2/c1-15-11(9(13)6-14-15)12(19)16-4-5-17-8(7-16)2-3-10(17)18/h6,8H,2-5,7,13H2,1H3
InChIKeyTVMQFDLQFUYQLA-UHFFFAOYSA-N
XLogP-0.55
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-methylpyrazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(4-amino-1-methylpyrazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82857155) is 2-(4-amino-1-methylpyrazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(4-amino-1-methylpyrazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(4-amino-1-methylpyrazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is Cn1ncc(N)c1C(=O)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-(4-amino-1-methylpyrazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is TVMQFDLQFUYQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-15-11(9(13)6-14-15)12(19)16-4-5-17-8(7-16)2-3-10(17)18/h6,8H,2-5,7,13H2,1H3.
What are the key properties of 2-(4-amino-1-methylpyrazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(4-amino-1-methylpyrazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 263.30 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1-methylpyrazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82857155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).