3-butanoyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide

C13H17N5O2 — CID 13011543

IUPAC3-butanoyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide
SMILESCCCC(=O)c1nnc2c(C(N)=O)cnn2c1CCC
InChIInChI=1S/C13H17N5O2/c1-3-5-9-11(10(19)6-4-2)16-17-13-8(12(14)20)7-15-18(9)13/h7H,3-6H2,1-2H3,(H2,14,20)
InChIKeyABJNNEYCOVEILG-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.16
Rot. Bonds6

About 3-butanoyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide

3-butanoyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide (PubChem CID 13011543) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-butanoyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide.

Molecular Properties

Compound Name3-butanoyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide
PubChem CID13011543
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name3-butanoyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide
SMILESCCCC(=O)c1nnc2c(C(N)=O)cnn2c1CCC
InChIInChI=1S/C13H17N5O2/c1-3-5-9-11(10(19)6-4-2)16-17-13-8(12(14)20)7-15-18(9)13/h7H,3-6H2,1-2H3,(H2,14,20)
InChIKeyABJNNEYCOVEILG-UHFFFAOYSA-N
XLogP1.16
TPSA103.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-butanoyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide 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 3-butanoyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide?
The IUPAC name of 3-butanoyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide (CID 13011543) is 3-butanoyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide.
What is the SMILES notation for 3-butanoyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide?
The canonical SMILES for 3-butanoyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide is CCCC(=O)c1nnc2c(C(N)=O)cnn2c1CCC.
What is the InChIKey of 3-butanoyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide?
The InChIKey is ABJNNEYCOVEILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-5-9-11(10(19)6-4-2)16-17-13-8(12(14)20)7-15-18(9)13/h7H,3-6H2,1-2H3,(H2,14,20).
What are the key properties of 3-butanoyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide?
3-butanoyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butanoyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide is sourced from PubChem (CID 13011543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).