methyl 4-methyl-7-oxo-6-phenylpyrazolo[1,5-d][1,2,4]triazine-3-carboxylate

C14H12N4O3 — CID 12948803

IUPACmethyl 4-methyl-7-oxo-6-phenylpyrazolo[1,5-d][1,2,4]triazine-3-carboxylate
SMILESCOC(=O)c1cnn2c(=O)n(-c3ccccc3)nc(C)c12
InChIInChI=1S/C14H12N4O3/c1-9-12-11(13(19)21-2)8-15-18(12)14(20)17(16-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyXQZQEWHRNAJKOR-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.98
Rot. Bonds2

About methyl 4-methyl-7-oxo-6-phenylpyrazolo[1,5-d][1,2,4]triazine-3-carboxylate

methyl 4-methyl-7-oxo-6-phenylpyrazolo[1,5-d][1,2,4]triazine-3-carboxylate (PubChem CID 12948803) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is methyl 4-methyl-7-oxo-6-phenylpyrazolo[1,5-d][1,2,4]triazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-7-oxo-6-phenylpyrazolo[1,5-d][1,2,4]triazine-3-carboxylate
PubChem CID12948803
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Namemethyl 4-methyl-7-oxo-6-phenylpyrazolo[1,5-d][1,2,4]triazine-3-carboxylate
SMILESCOC(=O)c1cnn2c(=O)n(-c3ccccc3)nc(C)c12
InChIInChI=1S/C14H12N4O3/c1-9-12-11(13(19)21-2)8-15-18(12)14(20)17(16-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyXQZQEWHRNAJKOR-UHFFFAOYSA-N
XLogP0.98
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-7-oxo-6-phenylpyrazolo[1,5-d][1,2,4]triazine-3-carboxylate?
The IUPAC name of methyl 4-methyl-7-oxo-6-phenylpyrazolo[1,5-d][1,2,4]triazine-3-carboxylate (CID 12948803) is methyl 4-methyl-7-oxo-6-phenylpyrazolo[1,5-d][1,2,4]triazine-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-7-oxo-6-phenylpyrazolo[1,5-d][1,2,4]triazine-3-carboxylate?
The canonical SMILES for methyl 4-methyl-7-oxo-6-phenylpyrazolo[1,5-d][1,2,4]triazine-3-carboxylate is COC(=O)c1cnn2c(=O)n(-c3ccccc3)nc(C)c12.
What is the InChIKey of methyl 4-methyl-7-oxo-6-phenylpyrazolo[1,5-d][1,2,4]triazine-3-carboxylate?
The InChIKey is XQZQEWHRNAJKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-9-12-11(13(19)21-2)8-15-18(12)14(20)17(16-9)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of methyl 4-methyl-7-oxo-6-phenylpyrazolo[1,5-d][1,2,4]triazine-3-carboxylate?
methyl 4-methyl-7-oxo-6-phenylpyrazolo[1,5-d][1,2,4]triazine-3-carboxylate has a molecular weight of 284.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-7-oxo-6-phenylpyrazolo[1,5-d][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 12948803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).