2,5,6,7,7-pentamethylpyrazolo[1,5-d][1,2,4]triazin-4-one

C10H16N4O — CID 525324

IUPAC2,5,6,7,7-pentamethylpyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCc1cc2n(n1)C(C)(C)N(C)N(C)C2=O
InChIInChI=1S/C10H16N4O/c1-7-6-8-9(15)12(4)13(5)10(2,3)14(8)11-7/h6H,1-5H3
InChIKeyWWSDXYREHHIDEC-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.82
Rot. Bonds

About 2,5,6,7,7-pentamethylpyrazolo[1,5-d][1,2,4]triazin-4-one

2,5,6,7,7-pentamethylpyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 525324) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,5,6,7,7-pentamethylpyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2,5,6,7,7-pentamethylpyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID525324
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2,5,6,7,7-pentamethylpyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCc1cc2n(n1)C(C)(C)N(C)N(C)C2=O
InChIInChI=1S/C10H16N4O/c1-7-6-8-9(15)12(4)13(5)10(2,3)14(8)11-7/h6H,1-5H3
InChIKeyWWSDXYREHHIDEC-UHFFFAOYSA-N
XLogP0.82
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5,6,7,7-pentamethylpyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2,5,6,7,7-pentamethylpyrazolo[1,5-d][1,2,4]triazin-4-one (CID 525324) is 2,5,6,7,7-pentamethylpyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2,5,6,7,7-pentamethylpyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2,5,6,7,7-pentamethylpyrazolo[1,5-d][1,2,4]triazin-4-one is Cc1cc2n(n1)C(C)(C)N(C)N(C)C2=O.
What is the InChIKey of 2,5,6,7,7-pentamethylpyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is WWSDXYREHHIDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-6-8-9(15)12(4)13(5)10(2,3)14(8)11-7/h6H,1-5H3.
What are the key properties of 2,5,6,7,7-pentamethylpyrazolo[1,5-d][1,2,4]triazin-4-one?
2,5,6,7,7-pentamethylpyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 208.26 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,7,7-pentamethylpyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 525324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).