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

C10H19N5O — CID 142463883

IUPAC2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;ethane
SMILESCC.CC.Cc1cnn2c(=O)[nH]c(N)nc12
InChIInChI=1S/C6H7N5O.2C2H6/c1-3-2-8-11-4(3)9-5(7)10-6(11)12;2*1-2/h2H,1H3,(H3,7,9,10,12);2*1-2H3
InChIKeyXWIZBVOYRZOAOT-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.36
Rot. Bonds

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

2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;ethane (PubChem CID 142463883) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;ethane.

Molecular Properties

Compound Name2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;ethane
PubChem CID142463883
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;ethane
SMILESCC.CC.Cc1cnn2c(=O)[nH]c(N)nc12
InChIInChI=1S/C6H7N5O.2C2H6/c1-3-2-8-11-4(3)9-5(7)10-6(11)12;2*1-2/h2H,1H3,(H3,7,9,10,12);2*1-2H3
InChIKeyXWIZBVOYRZOAOT-UHFFFAOYSA-N
XLogP1.36
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;ethane?
The IUPAC name of 2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;ethane (CID 142463883) is 2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;ethane.
What is the SMILES notation for 2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;ethane?
The canonical SMILES for 2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;ethane is CC.CC.Cc1cnn2c(=O)[nH]c(N)nc12.
What is the InChIKey of 2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;ethane?
The InChIKey is XWIZBVOYRZOAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O.2C2H6/c1-3-2-8-11-4(3)9-5(7)10-6(11)12;2*1-2/h2H,1H3,(H3,7,9,10,12);2*1-2H3.
What are the key properties of 2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;ethane?
2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;ethane has a molecular weight of 225.30 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;ethane is sourced from PubChem (CID 142463883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).