1-[1-(2-azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol

C11H16N4O — CID 166083941

IUPAC1-[1-(2-azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol
SMILESOC1(c2ncn(C3CC4(CNC4)C3)n2)CC1
InChIInChI=1S/C11H16N4O/c16-11(1-2-11)9-13-7-15(14-9)8-3-10(4-8)5-12-6-10/h7-8,12,16H,1-6H2
InChIKeyZXXSXPNVLKWTNQ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.18
Rot. Bonds2

About 1-[1-(2-azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol

1-[1-(2-azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol (PubChem CID 166083941) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-[1-(2-azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[1-(2-azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol
PubChem CID166083941
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-[1-(2-azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol
SMILESOC1(c2ncn(C3CC4(CNC4)C3)n2)CC1
InChIInChI=1S/C11H16N4O/c16-11(1-2-11)9-13-7-15(14-9)8-3-10(4-8)5-12-6-10/h7-8,12,16H,1-6H2
InChIKeyZXXSXPNVLKWTNQ-UHFFFAOYSA-N
XLogP0.18
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2-azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol 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

1-[1-(2-Azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol;2,2,2-trifluoroacetic acid
CID 174212260
6-(3-Cyclopropyl-1H-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane
CID 162745822
1-[6-[3-(1-Hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]ethanone
CID 166084408
6-[3-(1-Hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptane-2-carbaldehyde
CID 170774030
3-[(2-Propan-2-yl-1,2,4-triazol-3-yl)methyl]azetidin-3-ol
CID 65918392
3-[1-amino-2-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]azetidin-3-ol
CID 165594104
1-(1-Spiro[3.3]heptan-2-yl-1,2,4-triazol-3-yl)cyclopropan-1-ol
CID 166084043

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol?
The IUPAC name of 1-[1-(2-azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol (CID 166083941) is 1-[1-(2-azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[1-(2-azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[1-(2-azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol is OC1(c2ncn(C3CC4(CNC4)C3)n2)CC1.
What is the InChIKey of 1-[1-(2-azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol?
The InChIKey is ZXXSXPNVLKWTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c16-11(1-2-11)9-13-7-15(14-9)8-3-10(4-8)5-12-6-10/h7-8,12,16H,1-6H2.
What are the key properties of 1-[1-(2-azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol?
1-[1-(2-azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol has a molecular weight of 220.28 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol is sourced from PubChem (CID 166083941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).