1-[4-[(E)-2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone

C11H13N5O — CID 171665711

IUPAC1-[4-[(E)-2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone
SMILESCC(=O)c1nnc2ccnn2c1/C=C/N(C)C
InChIInChI=1S/C11H13N5O/c1-8(17)11-9(5-7-15(2)3)16-10(13-14-11)4-6-12-16/h4-7H,1-3H3/b7-5+
InChIKeyPGDLODGVJQBXKD-FNORWQNLSA-N
MW231.26 g/mol
LogP0.86
Rot. Bonds3

About 1-[4-[(E)-2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone

1-[4-[(E)-2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone (PubChem CID 171665711) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-[4-[(E)-2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(E)-2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone
PubChem CID171665711
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name1-[4-[(E)-2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone
SMILESCC(=O)c1nnc2ccnn2c1/C=C/N(C)C
InChIInChI=1S/C11H13N5O/c1-8(17)11-9(5-7-15(2)3)16-10(13-14-11)4-6-12-16/h4-7H,1-3H3/b7-5+
InChIKeyPGDLODGVJQBXKD-FNORWQNLSA-N
XLogP0.86
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone?
The IUPAC name of 1-[4-[(E)-2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone (CID 171665711) is 1-[4-[(E)-2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone.
What is the SMILES notation for 1-[4-[(E)-2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone?
The canonical SMILES for 1-[4-[(E)-2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone is CC(=O)c1nnc2ccnn2c1/C=C/N(C)C.
What is the InChIKey of 1-[4-[(E)-2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone?
The InChIKey is PGDLODGVJQBXKD-FNORWQNLSA-N. The full InChI is InChI=1S/C11H13N5O/c1-8(17)11-9(5-7-15(2)3)16-10(13-14-11)4-6-12-16/h4-7H,1-3H3/b7-5+.
What are the key properties of 1-[4-[(E)-2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone?
1-[4-[(E)-2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone has a molecular weight of 231.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone is sourced from PubChem (CID 171665711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).