6-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.3]heptane

C8H12N4 — CID 169105060

IUPAC6-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.3]heptane
SMILESc1n[nH]c(C2CC3(CNC3)C2)n1
InChIInChI=1S/C8H12N4/c1-6(7-10-5-11-12-7)2-8(1)3-9-4-8/h5-6,9H,1-4H2,(H,10,11,12)
InChIKeyNHVYUQHFYGRTAI-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.27
Rot. Bonds1

About 6-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.3]heptane

6-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.3]heptane (PubChem CID 169105060) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 6-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.3]heptane
PubChem CID169105060
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name6-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.3]heptane
SMILESc1n[nH]c(C2CC3(CNC3)C2)n1
InChIInChI=1S/C8H12N4/c1-6(7-10-5-11-12-7)2-8(1)3-9-4-8/h5-6,9H,1-4H2,(H,10,11,12)
InChIKeyNHVYUQHFYGRTAI-UHFFFAOYSA-N
XLogP0.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.3]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Cyclobutyl-1H-1,2,4-triazole
CID 19067937
3-(4H-1,2,4-triazol-3-yl)piperidine
CID 57004215
3-(azetidin-3-yl)-1H-1,2,4-triazole dihydrochloride
CID 137951291
5-(3-azetidinyl)-1H-1,2,4-Triazole
CID 53747061
6-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-2-azaspiro[3.3]heptane
CID 168205162
6-[[3-(Trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-2-azaspiro[3.3]heptane
CID 168205187
6-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptane
CID 169104469
6-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]-2-azaspiro[3.3]heptane
CID 169104734
6-[5-(3,3-difluorocyclobutyl)-1H-1,2,4-triazol-3-yl]-2-azaspiro[3.3]heptane
CID 169105600
6-[[1-(2,2,2-Trifluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-azaspiro[3.3]heptane
CID 170784706
3-Methyl-3-(1h-1,2,4-triazol-3-yl)piperidine
CID 63138240
1-[3,3-difluoro-1-(1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 165853079

Frequently Asked Questions

What is the IUPAC name of 6-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.3]heptane?
The IUPAC name of 6-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.3]heptane (CID 169105060) is 6-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.3]heptane is c1n[nH]c(C2CC3(CNC3)C2)n1.
What is the InChIKey of 6-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.3]heptane?
The InChIKey is NHVYUQHFYGRTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-6(7-10-5-11-12-7)2-8(1)3-9-4-8/h5-6,9H,1-4H2,(H,10,11,12).
What are the key properties of 6-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.3]heptane?
6-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.3]heptane has a molecular weight of 164.21 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.3]heptane is sourced from PubChem (CID 169105060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).