2-butylpyrazolo[1,5-a][1,3,5]triazine

C9H12N4 — CID 22115514

IUPAC2-butylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCCCc1ncn2nccc2n1
InChIInChI=1S/C9H12N4/c1-2-3-4-8-10-7-13-9(12-8)5-6-11-13/h5-7H,2-4H2,1H3
InChIKeyACWSENYPYYIPAU-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.47
Rot. Bonds3

About 2-butylpyrazolo[1,5-a][1,3,5]triazine

2-butylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 22115514) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-butylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name2-butylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID22115514
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-butylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCCCc1ncn2nccc2n1
InChIInChI=1S/C9H12N4/c1-2-3-4-8-10-7-13-9(12-8)5-6-11-13/h5-7H,2-4H2,1H3
InChIKeyACWSENYPYYIPAU-UHFFFAOYSA-N
XLogP1.47
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-butylpyrazolo[1,5-a][1,3,5]triazine 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 2-butylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 2-butylpyrazolo[1,5-a][1,3,5]triazine (CID 22115514) is 2-butylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 2-butylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 2-butylpyrazolo[1,5-a][1,3,5]triazine is CCCCc1ncn2nccc2n1.
What is the InChIKey of 2-butylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is ACWSENYPYYIPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-2-3-4-8-10-7-13-9(12-8)5-6-11-13/h5-7H,2-4H2,1H3.
What are the key properties of 2-butylpyrazolo[1,5-a][1,3,5]triazine?
2-butylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 176.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 22115514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).