2,6,7,7-tetramethyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

C9H14N4O — CID 525326

IUPAC2,6,7,7-tetramethyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCc1cc2n(n1)C(C)(C)N(C)NC2=O
InChIInChI=1S/C9H14N4O/c1-6-5-7-8(14)11-12(4)9(2,3)13(7)10-6/h5H,1-4H3,(H,11,14)
InChIKeyBEVVZHLXOHZILQ-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.47
Rot. Bonds

About 2,6,7,7-tetramethyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

2,6,7,7-tetramethyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 525326) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2,6,7,7-tetramethyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2,6,7,7-tetramethyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID525326
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2,6,7,7-tetramethyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCc1cc2n(n1)C(C)(C)N(C)NC2=O
InChIInChI=1S/C9H14N4O/c1-6-5-7-8(14)11-12(4)9(2,3)13(7)10-6/h5H,1-4H3,(H,11,14)
InChIKeyBEVVZHLXOHZILQ-UHFFFAOYSA-N
XLogP0.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6,7,7-tetramethyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2,6,7,7-tetramethyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 525326) is 2,6,7,7-tetramethyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2,6,7,7-tetramethyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2,6,7,7-tetramethyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is Cc1cc2n(n1)C(C)(C)N(C)NC2=O.
What is the InChIKey of 2,6,7,7-tetramethyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is BEVVZHLXOHZILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-5-7-8(14)11-12(4)9(2,3)13(7)10-6/h5H,1-4H3,(H,11,14).
What are the key properties of 2,6,7,7-tetramethyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
2,6,7,7-tetramethyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 194.24 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7,7-tetramethyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 525326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).