ethyl 4-amino-8-phenyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

C17H19N5O2 — CID 17229086

IUPACethyl 4-amino-8-phenyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCCOC(=O)c1nnc2c(-c3ccccc3)c(C(C)C)nn2c1N
InChIInChI=1S/C17H19N5O2/c1-4-24-17(23)14-15(18)22-16(20-19-14)12(13(21-22)10(2)3)11-8-6-5-7-9-11/h5-10H,4,18H2,1-3H3
InChIKeyGYYRTHYBTAUGJR-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.67
Rot. Bonds4

About ethyl 4-amino-8-phenyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

ethyl 4-amino-8-phenyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (PubChem CID 17229086) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 4-amino-8-phenyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-8-phenyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
PubChem CID17229086
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Nameethyl 4-amino-8-phenyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCCOC(=O)c1nnc2c(-c3ccccc3)c(C(C)C)nn2c1N
InChIInChI=1S/C17H19N5O2/c1-4-24-17(23)14-15(18)22-16(20-19-14)12(13(21-22)10(2)3)11-8-6-5-7-9-11/h5-10H,4,18H2,1-3H3
InChIKeyGYYRTHYBTAUGJR-UHFFFAOYSA-N
XLogP2.67
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17035682
ethyl 4-methyl-8-naphthalen-1-yl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17035687
ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17035686
4-amino-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 102128230
ethyl 4-amino-7-ethyl-8-(2-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17190398
ethyl 7-(methoxymethyl)-8-phenyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 29264820
ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 654938
4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide
CID 135616084
ethyl 5-phenyl-1-propan-2-yltriazole-4-carboxylate
CID 103104608
ethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate
CID 134999030
ethyl 1-(1-phenylethyl)-5-propan-2-yltriazole-4-carboxylate
CID 103105215
ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate
CID 116533372

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-8-phenyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The IUPAC name of ethyl 4-amino-8-phenyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (CID 17229086) is ethyl 4-amino-8-phenyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-8-phenyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The canonical SMILES for ethyl 4-amino-8-phenyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is CCOC(=O)c1nnc2c(-c3ccccc3)c(C(C)C)nn2c1N.
What is the InChIKey of ethyl 4-amino-8-phenyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The InChIKey is GYYRTHYBTAUGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-4-24-17(23)14-15(18)22-16(20-19-14)12(13(21-22)10(2)3)11-8-6-5-7-9-11/h5-10H,4,18H2,1-3H3.
What are the key properties of ethyl 4-amino-8-phenyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
ethyl 4-amino-8-phenyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-8-phenyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 17229086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).