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

C12H17N3O — CID 166084043

IUPAC1-(1-spiro[3.3]heptan-2-yl-1,2,4-triazol-3-yl)cyclopropan-1-ol
SMILESOC1(c2ncn(C3CC4(CCC4)C3)n2)CC1
InChIInChI=1S/C12H17N3O/c16-12(4-5-12)10-13-8-15(14-10)9-6-11(7-9)2-1-3-11/h8-9,16H,1-7H2
InChIKeyMTGKGCLFIJIAIZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.76
Rot. Bonds2

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

1-(1-spiro[3.3]heptan-2-yl-1,2,4-triazol-3-yl)cyclopropan-1-ol (PubChem CID 166084043) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(1-spiro[3.3]heptan-2-yl-1,2,4-triazol-3-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(1-spiro[3.3]heptan-2-yl-1,2,4-triazol-3-yl)cyclopropan-1-ol
PubChem CID166084043
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(1-spiro[3.3]heptan-2-yl-1,2,4-triazol-3-yl)cyclopropan-1-ol
SMILESOC1(c2ncn(C3CC4(CCC4)C3)n2)CC1
InChIInChI=1S/C12H17N3O/c16-12(4-5-12)10-13-8-15(14-10)9-6-11(7-9)2-1-3-11/h8-9,16H,1-7H2
InChIKeyMTGKGCLFIJIAIZ-UHFFFAOYSA-N
XLogP1.76
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-Azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol
CID 166083941
6-[3-(1-Hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptane-2-carbaldehyde
CID 170774030
2-(1-Methylcyclopropyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 80290213
Di(cyclobutyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 112744425
1-(1-Methylcyclopropyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 130529389
3-Methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 130530497
1-(2-Ethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol
CID 130554917
2,2-Dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 130554935
2-Methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 130555050
1-(2-Ethyl-1,2,4-triazol-3-yl)-3,3-dimethylcyclobutan-1-ol
CID 131092013
3,3-Dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 131166093
3-Cyclopropyl-1-spiro[3.3]heptan-2-yl-1,2,4-triazole
CID 166083928

Frequently Asked Questions

What is the IUPAC name of 1-(1-spiro[3.3]heptan-2-yl-1,2,4-triazol-3-yl)cyclopropan-1-ol?
The IUPAC name of 1-(1-spiro[3.3]heptan-2-yl-1,2,4-triazol-3-yl)cyclopropan-1-ol (CID 166084043) is 1-(1-spiro[3.3]heptan-2-yl-1,2,4-triazol-3-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(1-spiro[3.3]heptan-2-yl-1,2,4-triazol-3-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(1-spiro[3.3]heptan-2-yl-1,2,4-triazol-3-yl)cyclopropan-1-ol is OC1(c2ncn(C3CC4(CCC4)C3)n2)CC1.
What is the InChIKey of 1-(1-spiro[3.3]heptan-2-yl-1,2,4-triazol-3-yl)cyclopropan-1-ol?
The InChIKey is MTGKGCLFIJIAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12(4-5-12)10-13-8-15(14-10)9-6-11(7-9)2-1-3-11/h8-9,16H,1-7H2.
What are the key properties of 1-(1-spiro[3.3]heptan-2-yl-1,2,4-triazol-3-yl)cyclopropan-1-ol?
1-(1-spiro[3.3]heptan-2-yl-1,2,4-triazol-3-yl)cyclopropan-1-ol has a molecular weight of 219.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-spiro[3.3]heptan-2-yl-1,2,4-triazol-3-yl)cyclopropan-1-ol is sourced from PubChem (CID 166084043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).