2-methyl-1'-(1-methylpyrazole-3-carbonyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione

C15H18N6O3 — CID 131673740

IUPAC2-methyl-1'-(1-methylpyrazole-3-carbonyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
SMILESCn1ccc(C(=O)N2CCC3(Cc4nn(C)c(=O)c(=O)n4C3)C2)n1
InChIInChI=1S/C15H18N6O3/c1-18-5-3-10(16-18)12(22)20-6-4-15(8-20)7-11-17-19(2)13(23)14(24)21(11)9-15/h3,5H,4,6-9H2,1-2H3
InChIKeyRDUGXNBIXCXITJ-UHFFFAOYSA-N
MW330.35 g/mol
LogP-1.24
Rot. Bonds1

About 2-methyl-1'-(1-methylpyrazole-3-carbonyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione

2-methyl-1'-(1-methylpyrazole-3-carbonyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione (PubChem CID 131673740) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-methyl-1'-(1-methylpyrazole-3-carbonyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione.

Molecular Properties

Compound Name2-methyl-1'-(1-methylpyrazole-3-carbonyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
PubChem CID131673740
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name2-methyl-1'-(1-methylpyrazole-3-carbonyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
SMILESCn1ccc(C(=O)N2CCC3(Cc4nn(C)c(=O)c(=O)n4C3)C2)n1
InChIInChI=1S/C15H18N6O3/c1-18-5-3-10(16-18)12(22)20-6-4-15(8-20)7-11-17-19(2)13(23)14(24)21(11)9-15/h3,5H,4,6-9H2,1-2H3
InChIKeyRDUGXNBIXCXITJ-UHFFFAOYSA-N
XLogP-1.24
TPSA95.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1'-(1-methylpyrazole-3-carbonyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione?
The IUPAC name of 2-methyl-1'-(1-methylpyrazole-3-carbonyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione (CID 131673740) is 2-methyl-1'-(1-methylpyrazole-3-carbonyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione.
What is the SMILES notation for 2-methyl-1'-(1-methylpyrazole-3-carbonyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione?
The canonical SMILES for 2-methyl-1'-(1-methylpyrazole-3-carbonyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione is Cn1ccc(C(=O)N2CCC3(Cc4nn(C)c(=O)c(=O)n4C3)C2)n1.
What is the InChIKey of 2-methyl-1'-(1-methylpyrazole-3-carbonyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione?
The InChIKey is RDUGXNBIXCXITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-18-5-3-10(16-18)12(22)20-6-4-15(8-20)7-11-17-19(2)13(23)14(24)21(11)9-15/h3,5H,4,6-9H2,1-2H3.
What are the key properties of 2-methyl-1'-(1-methylpyrazole-3-carbonyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione?
2-methyl-1'-(1-methylpyrazole-3-carbonyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione has a molecular weight of 330.35 g/mol, XLogP of -1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1'-(1-methylpyrazole-3-carbonyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione is sourced from PubChem (CID 131673740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).