1,6-dimethylpyrazolo[5,4-d][1,3]oxazin-4-one

C7H7N3O2 — CID 641947

IUPAC1,6-dimethylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESCc1nc2c(cnn2C)c(=O)o1
InChIInChI=1S/C7H7N3O2/c1-4-9-6-5(7(11)12-4)3-8-10(6)2/h3H,1-2H3
InChIKeyMNXBIQRXLMTBMQ-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.23
Rot. Bonds

About 1,6-dimethylpyrazolo[5,4-d][1,3]oxazin-4-one

1,6-dimethylpyrazolo[5,4-d][1,3]oxazin-4-one (PubChem CID 641947) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 1,6-dimethylpyrazolo[5,4-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name1,6-dimethylpyrazolo[5,4-d][1,3]oxazin-4-one
PubChem CID641947
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name1,6-dimethylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESCc1nc2c(cnn2C)c(=O)o1
InChIInChI=1S/C7H7N3O2/c1-4-9-6-5(7(11)12-4)3-8-10(6)2/h3H,1-2H3
InChIKeyMNXBIQRXLMTBMQ-UHFFFAOYSA-N
XLogP0.23
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 271299
5-amino-1-methyl-1H-pyrazole-4-carboxylic acid
CID 313342
Ethyl 5-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylate
CID 429881
ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 252927
methyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 15140326
ethyl 5-isocyanato-1-methyl-1H-pyrazole-4-carboxylate
CID 83383185
ethyl 5-amino-1-(tert-butyl)-1H-pyrazole-4-carboxylate
CID 13809946
methyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 20388928
ethyl 5-amino-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxylate
CID 22831608
ethyl 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate
CID 4739105
methyl 5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxylate
CID 117213905
4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate
CID 2967086

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylpyrazolo[5,4-d][1,3]oxazin-4-one?
The IUPAC name of 1,6-dimethylpyrazolo[5,4-d][1,3]oxazin-4-one (CID 641947) is 1,6-dimethylpyrazolo[5,4-d][1,3]oxazin-4-one.
What is the SMILES notation for 1,6-dimethylpyrazolo[5,4-d][1,3]oxazin-4-one?
The canonical SMILES for 1,6-dimethylpyrazolo[5,4-d][1,3]oxazin-4-one is Cc1nc2c(cnn2C)c(=O)o1.
What is the InChIKey of 1,6-dimethylpyrazolo[5,4-d][1,3]oxazin-4-one?
The InChIKey is MNXBIQRXLMTBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-4-9-6-5(7(11)12-4)3-8-10(6)2/h3H,1-2H3.
What are the key properties of 1,6-dimethylpyrazolo[5,4-d][1,3]oxazin-4-one?
1,6-dimethylpyrazolo[5,4-d][1,3]oxazin-4-one has a molecular weight of 165.15 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylpyrazolo[5,4-d][1,3]oxazin-4-one is sourced from PubChem (CID 641947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).