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

C6H7N5O — CID 137148926

IUPAC2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCc1cnn2c(=O)[nH]c(N)nc12
InChIInChI=1S/C6H7N5O/c1-3-2-8-11-4(3)9-5(7)10-6(11)12/h2H,1H3,(H3,7,9,10,12)
InChIKeyHUPKCIAQXFYOOA-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.69
Rot. Bonds

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

2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (PubChem CID 137148926) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
PubChem CID137148926
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCc1cnn2c(=O)[nH]c(N)nc12
InChIInChI=1S/C6H7N5O/c1-3-2-8-11-4(3)9-5(7)10-6(11)12/h2H,1H3,(H3,7,9,10,12)
InChIKeyHUPKCIAQXFYOOA-UHFFFAOYSA-N
XLogP-0.69
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.69
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?
The IUPAC name of 2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (CID 137148926) is 2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is 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?
The InChIKey is HUPKCIAQXFYOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-3-2-8-11-4(3)9-5(7)10-6(11)12/h2H,1H3,(H3,7,9,10,12).
What are the key properties of 2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 165.16 g/mol, XLogP of -0.69, 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 is sourced from PubChem (CID 137148926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).