4-amino-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one

C6H7N5O — CID 135475085

IUPAC4-amino-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one
SMILESCc1cc2[nH]c(=O)nc(N)n2n1
InChIInChI=1S/C6H7N5O/c1-3-2-4-8-6(12)9-5(7)11(4)10-3/h2H,1H3,(H3,7,8,9,12)
InChIKeyAIOHMASJJVGZOY-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.69
Rot. Bonds

About 4-amino-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one

4-amino-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one (PubChem CID 135475085) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 4-amino-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one.

Molecular Properties

Compound Name4-amino-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one
PubChem CID135475085
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name4-amino-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one
SMILESCc1cc2[nH]c(=O)nc(N)n2n1
InChIInChI=1S/C6H7N5O/c1-3-2-4-8-6(12)9-5(7)11(4)10-3/h2H,1H3,(H3,7,8,9,12)
InChIKeyAIOHMASJJVGZOY-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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Related Compounds

2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 135778888
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-ethyl-3,4-dihydropyrimidin-4-one
CID 135876292
6-ethyl-2,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135412467
N-(1,3-dimethyl-1H-pyrazol-5-yl)-N'-methylurea
CID 2818773
4-butylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one
CID 135540437
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-propyl-3,4-dihydropyrimidin-4-one
CID 135876298
4-ethylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one
CID 135477884
3-butyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135481129
3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135540428
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)isobutyramide
CID 135551469
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 135753026
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135752890

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one?
The IUPAC name of 4-amino-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one (CID 135475085) is 4-amino-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one.
What is the SMILES notation for 4-amino-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one?
The canonical SMILES for 4-amino-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one is Cc1cc2[nH]c(=O)nc(N)n2n1.
What is the InChIKey of 4-amino-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one?
The InChIKey is AIOHMASJJVGZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-3-2-4-8-6(12)9-5(7)11(4)10-3/h2H,1H3,(H3,7,8,9,12).
What are the key properties of 4-amino-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one?
4-amino-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-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 4-amino-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one is sourced from PubChem (CID 135475085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).