ethane;8-methyl-2-(methylamino)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

C11H21N5O — CID 142463734

IUPACethane;8-methyl-2-(methylamino)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCC.CC.CNc1nc2c(C)cnn2c(=O)[nH]1
InChIInChI=1S/C7H9N5O.2C2H6/c1-4-3-9-12-5(4)10-6(8-2)11-7(12)13;2*1-2/h3H,1-2H3,(H2,8,10,11,13);2*1-2H3
InChIKeyKGNQQBHPCBXARR-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.82
Rot. Bonds1

About ethane;8-methyl-2-(methylamino)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

ethane;8-methyl-2-(methylamino)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (PubChem CID 142463734) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is ethane;8-methyl-2-(methylamino)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Nameethane;8-methyl-2-(methylamino)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
PubChem CID142463734
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Nameethane;8-methyl-2-(methylamino)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCC.CC.CNc1nc2c(C)cnn2c(=O)[nH]1
InChIInChI=1S/C7H9N5O.2C2H6/c1-4-3-9-12-5(4)10-6(8-2)11-7(12)13;2*1-2/h3H,1-2H3,(H2,8,10,11,13);2*1-2H3
InChIKeyKGNQQBHPCBXARR-UHFFFAOYSA-N
XLogP1.82
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-2-(methylamino)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of ethane;8-methyl-2-(methylamino)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (CID 142463734) is ethane;8-methyl-2-(methylamino)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for ethane;8-methyl-2-(methylamino)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for ethane;8-methyl-2-(methylamino)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is CC.CC.CNc1nc2c(C)cnn2c(=O)[nH]1.
What is the InChIKey of ethane;8-methyl-2-(methylamino)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is KGNQQBHPCBXARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O.2C2H6/c1-4-3-9-12-5(4)10-6(8-2)11-7(12)13;2*1-2/h3H,1-2H3,(H2,8,10,11,13);2*1-2H3.
What are the key properties of ethane;8-methyl-2-(methylamino)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
ethane;8-methyl-2-(methylamino)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 239.32 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-2-(methylamino)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 142463734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).