methyl 4-[(E)-2-(dimethylamino)ethenyl]-7-ethyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

C19H21N5O2 — CID 56760870

IUPACmethyl 4-[(E)-2-(dimethylamino)ethenyl]-7-ethyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCCc1nn2c(/C=C/N(C)C)c(C(=O)OC)nnc2c1-c1ccccc1
InChIInChI=1S/C19H21N5O2/c1-5-14-16(13-9-7-6-8-10-13)18-21-20-17(19(25)26-4)15(24(18)22-14)11-12-23(2)3/h6-12H,5H2,1-4H3/b12-11+
InChIKeyARXWCVBLYPHVTR-VAWYXSNFSA-N
MW351.41 g/mol
LogP2.67
Rot. Bonds5

About methyl 4-[(E)-2-(dimethylamino)ethenyl]-7-ethyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

methyl 4-[(E)-2-(dimethylamino)ethenyl]-7-ethyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (PubChem CID 56760870) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is methyl 4-[(E)-2-(dimethylamino)ethenyl]-7-ethyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(E)-2-(dimethylamino)ethenyl]-7-ethyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
PubChem CID56760870
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Namemethyl 4-[(E)-2-(dimethylamino)ethenyl]-7-ethyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCCc1nn2c(/C=C/N(C)C)c(C(=O)OC)nnc2c1-c1ccccc1
InChIInChI=1S/C19H21N5O2/c1-5-14-16(13-9-7-6-8-10-13)18-21-20-17(19(25)26-4)15(24(18)22-14)11-12-23(2)3/h6-12H,5H2,1-4H3/b12-11+
InChIKeyARXWCVBLYPHVTR-VAWYXSNFSA-N
XLogP2.67
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[(E)-2-(dimethylamino)ethenyl]-7-ethyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-2-(dimethylamino)ethenyl]-7-ethyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The IUPAC name of methyl 4-[(E)-2-(dimethylamino)ethenyl]-7-ethyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (CID 56760870) is methyl 4-[(E)-2-(dimethylamino)ethenyl]-7-ethyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.
What is the SMILES notation for methyl 4-[(E)-2-(dimethylamino)ethenyl]-7-ethyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The canonical SMILES for methyl 4-[(E)-2-(dimethylamino)ethenyl]-7-ethyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is CCc1nn2c(/C=C/N(C)C)c(C(=O)OC)nnc2c1-c1ccccc1.
What is the InChIKey of methyl 4-[(E)-2-(dimethylamino)ethenyl]-7-ethyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The InChIKey is ARXWCVBLYPHVTR-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-5-14-16(13-9-7-6-8-10-13)18-21-20-17(19(25)26-4)15(24(18)22-14)11-12-23(2)3/h6-12H,5H2,1-4H3/b12-11+.
What are the key properties of methyl 4-[(E)-2-(dimethylamino)ethenyl]-7-ethyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
methyl 4-[(E)-2-(dimethylamino)ethenyl]-7-ethyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-2-(dimethylamino)ethenyl]-7-ethyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 56760870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).