methyl 4-[2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

C11H13N5O2 — CID 71946647

IUPACmethyl 4-[2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCOC(=O)c1nnc2ccnn2c1C=CN(C)C
InChIInChI=1S/C11H13N5O2/c1-15(2)7-5-8-10(11(17)18-3)14-13-9-4-6-12-16(8)9/h4-7H,1-3H3
InChIKeyKHOSXYSRZLQIJT-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.44
Rot. Bonds3

About methyl 4-[2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

methyl 4-[2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (PubChem CID 71946647) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is methyl 4-[2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
PubChem CID71946647
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Namemethyl 4-[2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCOC(=O)c1nnc2ccnn2c1C=CN(C)C
InChIInChI=1S/C11H13N5O2/c1-15(2)7-5-8-10(11(17)18-3)14-13-9-4-6-12-16(8)9/h4-7H,1-3H3
InChIKeyKHOSXYSRZLQIJT-UHFFFAOYSA-N
XLogP0.44
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The IUPAC name of methyl 4-[2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (CID 71946647) is methyl 4-[2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The canonical SMILES for methyl 4-[2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is COC(=O)c1nnc2ccnn2c1C=CN(C)C.
What is the InChIKey of methyl 4-[2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The InChIKey is KHOSXYSRZLQIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-15(2)7-5-8-10(11(17)18-3)14-13-9-4-6-12-16(8)9/h4-7H,1-3H3.
What are the key properties of methyl 4-[2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
methyl 4-[2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate has a molecular weight of 247.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(dimethylamino)ethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 71946647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).