8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C16H28N6 — CID 11722590

IUPAC8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CC)CCCCCc1cnn2c(NC)nc(C)nc12
InChIInChI=1S/C16H28N6/c1-5-21(6-2)11-9-7-8-10-14-12-18-22-15(14)19-13(3)20-16(22)17-4/h12H,5-11H2,1-4H3,(H,17,19,20)
InChIKeyMAMUOAXJZBXVJQ-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.53
Rot. Bonds9

About 8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 11722590) has the molecular formula C16H28N6 and a molecular weight of 304.44 g/mol. Its IUPAC name is 8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID11722590
Molecular FormulaC16H28N6
Molecular Weight304.44 g/mol
Exact Mass304.24
IUPAC Name8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CC)CCCCCc1cnn2c(NC)nc(C)nc12
InChIInChI=1S/C16H28N6/c1-5-21(6-2)11-9-7-8-10-14-12-18-22-15(14)19-13(3)20-16(22)17-4/h12H,5-11H2,1-4H3,(H,17,19,20)
InChIKeyMAMUOAXJZBXVJQ-UHFFFAOYSA-N
XLogP2.53
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine 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 8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 11722590) is 8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCN(CC)CCCCCc1cnn2c(NC)nc(C)nc12.
What is the InChIKey of 8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is MAMUOAXJZBXVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6/c1-5-21(6-2)11-9-7-8-10-14-12-18-22-15(14)19-13(3)20-16(22)17-4/h12H,5-11H2,1-4H3,(H,17,19,20).
What are the key properties of 8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 304.44 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(diethylamino)pentyl]-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 11722590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).