2-butyl-2-(triazol-1-yl)-5-azaspiro[2.4]heptane

C12H20N4 — CID 121304585

IUPAC2-butyl-2-(triazol-1-yl)-5-azaspiro[2.4]heptane
SMILESCCCCC1(n2ccnn2)CC12CCNC2
InChIInChI=1S/C12H20N4/c1-2-3-4-12(16-8-7-14-15-16)9-11(12)5-6-13-10-11/h7-8,13H,2-6,9-10H2,1H3
InChIKeySWIGVEICVPRNNE-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.55
Rot. Bonds4

About 2-butyl-2-(triazol-1-yl)-5-azaspiro[2.4]heptane

2-butyl-2-(triazol-1-yl)-5-azaspiro[2.4]heptane (PubChem CID 121304585) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-butyl-2-(triazol-1-yl)-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name2-butyl-2-(triazol-1-yl)-5-azaspiro[2.4]heptane
PubChem CID121304585
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-butyl-2-(triazol-1-yl)-5-azaspiro[2.4]heptane
SMILESCCCCC1(n2ccnn2)CC12CCNC2
InChIInChI=1S/C12H20N4/c1-2-3-4-12(16-8-7-14-15-16)9-11(12)5-6-13-10-11/h7-8,13H,2-6,9-10H2,1H3
InChIKeySWIGVEICVPRNNE-UHFFFAOYSA-N
XLogP1.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-butyl-2-(triazol-1-yl)-5-azaspiro[2.4]heptane 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-butyl-2-(triazol-1-yl)-5-azaspiro[2.4]heptane?
The IUPAC name of 2-butyl-2-(triazol-1-yl)-5-azaspiro[2.4]heptane (CID 121304585) is 2-butyl-2-(triazol-1-yl)-5-azaspiro[2.4]heptane.
What is the SMILES notation for 2-butyl-2-(triazol-1-yl)-5-azaspiro[2.4]heptane?
The canonical SMILES for 2-butyl-2-(triazol-1-yl)-5-azaspiro[2.4]heptane is CCCCC1(n2ccnn2)CC12CCNC2.
What is the InChIKey of 2-butyl-2-(triazol-1-yl)-5-azaspiro[2.4]heptane?
The InChIKey is SWIGVEICVPRNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-3-4-12(16-8-7-14-15-16)9-11(12)5-6-13-10-11/h7-8,13H,2-6,9-10H2,1H3.
What are the key properties of 2-butyl-2-(triazol-1-yl)-5-azaspiro[2.4]heptane?
2-butyl-2-(triazol-1-yl)-5-azaspiro[2.4]heptane has a molecular weight of 220.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-(triazol-1-yl)-5-azaspiro[2.4]heptane is sourced from PubChem (CID 121304585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).