6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane

C11H16N4 — CID 162745822

IUPAC6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane
SMILESc1nc(C2CC2)nn1C1CC2(CNC2)C1
InChIInChI=1S/C11H16N4/c1-2-8(1)10-13-7-15(14-10)9-3-11(4-9)5-12-6-11/h7-9,12H,1-6H2
InChIKeyHOFJFVMNBSGQBC-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.08
Rot. Bonds2

About 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane

6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane (PubChem CID 162745822) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane
PubChem CID162745822
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane
SMILESc1nc(C2CC2)nn1C1CC2(CNC2)C1
InChIInChI=1S/C11H16N4/c1-2-8(1)10-13-7-15(14-10)9-3-11(4-9)5-12-6-11/h7-9,12H,1-6H2
InChIKeyHOFJFVMNBSGQBC-UHFFFAOYSA-N
XLogP1.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(Trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptane
CID 166084407
Ethane;6-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-2-azaspiro[3.3]heptane
CID 168205186
6-[[3-(Trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-2-azaspiro[3.3]heptane
CID 168205187
6-[[1-(2,2,2-Trifluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-azaspiro[3.3]heptane
CID 170784706
6-[[3-[1-(Trifluoromethyl)cyclopropyl]-1,2,4-triazol-1-yl]methyl]-2-azaspiro[3.3]heptane
CID 170784987
6-[3-(Difluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptane
CID 171533053
6-[[5-(Trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-2-azaspiro[3.3]heptane
CID 175996733
1-[1-(2-Azaspiro[3.3]heptan-6-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol
CID 166083941
6-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.3]heptane
CID 169105060
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2,6-diazaspiro[3.3]heptan-2-yl)methanone
CID 170565709
6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbaldehyde
CID 170774071
6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-propan-2-yl-2-azaspiro[3.3]heptane
CID 174309009

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane?
The IUPAC name of 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane (CID 162745822) is 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane is c1nc(C2CC2)nn1C1CC2(CNC2)C1.
What is the InChIKey of 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane?
The InChIKey is HOFJFVMNBSGQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-2-8(1)10-13-7-15(14-10)9-3-11(4-9)5-12-6-11/h7-9,12H,1-6H2.
What are the key properties of 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane?
6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane has a molecular weight of 204.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane is sourced from PubChem (CID 162745822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).