2,6-dimethylspiro[5H-pyrazolo[1,5-d][1,2,4]triazine-7,1'-cyclopentane]-4-one

C11H16N4O — CID 6427868

IUPAC2,6-dimethylspiro[5H-pyrazolo[1,5-d][1,2,4]triazine-7,1'-cyclopentane]-4-one
SMILESCc1cc2n(n1)C1(CCCC1)N(C)NC2=O
InChIInChI=1S/C11H16N4O/c1-8-7-9-10(16)13-14(2)11(15(9)12-8)5-3-4-6-11/h7H,3-6H2,1-2H3,(H,13,16)
InChIKeyPPICRJRHTGFGJA-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.01
Rot. Bonds

About 2,6-dimethylspiro[5H-pyrazolo[1,5-d][1,2,4]triazine-7,1'-cyclopentane]-4-one

2,6-dimethylspiro[5H-pyrazolo[1,5-d][1,2,4]triazine-7,1'-cyclopentane]-4-one (PubChem CID 6427868) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2,6-dimethylspiro[5H-pyrazolo[1,5-d][1,2,4]triazine-7,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name2,6-dimethylspiro[5H-pyrazolo[1,5-d][1,2,4]triazine-7,1'-cyclopentane]-4-one
PubChem CID6427868
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2,6-dimethylspiro[5H-pyrazolo[1,5-d][1,2,4]triazine-7,1'-cyclopentane]-4-one
SMILESCc1cc2n(n1)C1(CCCC1)N(C)NC2=O
InChIInChI=1S/C11H16N4O/c1-8-7-9-10(16)13-14(2)11(15(9)12-8)5-3-4-6-11/h7H,3-6H2,1-2H3,(H,13,16)
InChIKeyPPICRJRHTGFGJA-UHFFFAOYSA-N
XLogP1.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylspiro[5H-pyrazolo[1,5-d][1,2,4]triazine-7,1'-cyclopentane]-4-one?
The IUPAC name of 2,6-dimethylspiro[5H-pyrazolo[1,5-d][1,2,4]triazine-7,1'-cyclopentane]-4-one (CID 6427868) is 2,6-dimethylspiro[5H-pyrazolo[1,5-d][1,2,4]triazine-7,1'-cyclopentane]-4-one.
What is the SMILES notation for 2,6-dimethylspiro[5H-pyrazolo[1,5-d][1,2,4]triazine-7,1'-cyclopentane]-4-one?
The canonical SMILES for 2,6-dimethylspiro[5H-pyrazolo[1,5-d][1,2,4]triazine-7,1'-cyclopentane]-4-one is Cc1cc2n(n1)C1(CCCC1)N(C)NC2=O.
What is the InChIKey of 2,6-dimethylspiro[5H-pyrazolo[1,5-d][1,2,4]triazine-7,1'-cyclopentane]-4-one?
The InChIKey is PPICRJRHTGFGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-7-9-10(16)13-14(2)11(15(9)12-8)5-3-4-6-11/h7H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 2,6-dimethylspiro[5H-pyrazolo[1,5-d][1,2,4]triazine-7,1'-cyclopentane]-4-one?
2,6-dimethylspiro[5H-pyrazolo[1,5-d][1,2,4]triazine-7,1'-cyclopentane]-4-one has a molecular weight of 220.28 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylspiro[5H-pyrazolo[1,5-d][1,2,4]triazine-7,1'-cyclopentane]-4-one is sourced from PubChem (CID 6427868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).