4-ethyl-3-propanoylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide

C11H13N5O2 — CID 13011544

IUPAC4-ethyl-3-propanoylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide
SMILESCCC(=O)c1nnc2c(C(N)=O)cnn2c1CC
InChIInChI=1S/C11H13N5O2/c1-3-7-9(8(17)4-2)14-15-11-6(10(12)18)5-13-16(7)11/h5H,3-4H2,1-2H3,(H2,12,18)
InChIKeyOCACRLWRDIOMKB-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.38
Rot. Bonds4

About 4-ethyl-3-propanoylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide

4-ethyl-3-propanoylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide (PubChem CID 13011544) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-ethyl-3-propanoylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide.

Molecular Properties

Compound Name4-ethyl-3-propanoylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide
PubChem CID13011544
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name4-ethyl-3-propanoylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide
SMILESCCC(=O)c1nnc2c(C(N)=O)cnn2c1CC
InChIInChI=1S/C11H13N5O2/c1-3-7-9(8(17)4-2)14-15-11-6(10(12)18)5-13-16(7)11/h5H,3-4H2,1-2H3,(H2,12,18)
InChIKeyOCACRLWRDIOMKB-UHFFFAOYSA-N
XLogP0.38
TPSA103.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-propanoylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide?
The IUPAC name of 4-ethyl-3-propanoylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide (CID 13011544) is 4-ethyl-3-propanoylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide.
What is the SMILES notation for 4-ethyl-3-propanoylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide?
The canonical SMILES for 4-ethyl-3-propanoylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide is CCC(=O)c1nnc2c(C(N)=O)cnn2c1CC.
What is the InChIKey of 4-ethyl-3-propanoylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide?
The InChIKey is OCACRLWRDIOMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-3-7-9(8(17)4-2)14-15-11-6(10(12)18)5-13-16(7)11/h5H,3-4H2,1-2H3,(H2,12,18).
What are the key properties of 4-ethyl-3-propanoylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide?
4-ethyl-3-propanoylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide has a molecular weight of 247.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-propanoylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide is sourced from PubChem (CID 13011544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).