3-(8-azaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-amine

C11H19N5 — CID 66276897

IUPAC3-(8-azaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCC3(CCCC3)CC2)n[nH]1
InChIInChI=1S/C11H19N5/c12-9-13-10(15-14-9)16-7-5-11(6-8-16)3-1-2-4-11/h1-8H2,(H3,12,13,14,15)
InChIKeyRBYMQUQPORKOBR-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.55
Rot. Bonds1

About 3-(8-azaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-amine

3-(8-azaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 66276897) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 3-(8-azaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(8-azaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-amine
PubChem CID66276897
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name3-(8-azaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCC3(CCCC3)CC2)n[nH]1
InChIInChI=1S/C11H19N5/c12-9-13-10(15-14-9)16-7-5-11(6-8-16)3-1-2-4-11/h1-8H2,(H3,12,13,14,15)
InChIKeyRBYMQUQPORKOBR-UHFFFAOYSA-N
XLogP1.55
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(8-azaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-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 3-(8-azaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-amine (CID 66276897) is 3-(8-azaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(8-azaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(8-azaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-amine is Nc1nc(N2CCC3(CCCC3)CC2)n[nH]1.
What is the InChIKey of 3-(8-azaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is RBYMQUQPORKOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c12-9-13-10(15-14-9)16-7-5-11(6-8-16)3-1-2-4-11/h1-8H2,(H3,12,13,14,15).
What are the key properties of 3-(8-azaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-amine?
3-(8-azaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 221.31 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 66276897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).