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

C14H22N4 — CID 174309009

IUPAC6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-propan-2-yl-2-azaspiro[3.3]heptane
SMILESCC(C)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C14H22N4/c1-10(2)17-7-14(8-17)5-12(6-14)18-9-15-13(16-18)11-3-4-11/h9-12H,3-8H2,1-2H3
InChIKeyDIMSZWLCDSUOQK-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.20
Rot. Bonds3

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

6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-propan-2-yl-2-azaspiro[3.3]heptane (PubChem CID 174309009) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-propan-2-yl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-propan-2-yl-2-azaspiro[3.3]heptane
PubChem CID174309009
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-propan-2-yl-2-azaspiro[3.3]heptane
SMILESCC(C)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C14H22N4/c1-10(2)17-7-14(8-17)5-12(6-14)18-9-15-13(16-18)11-3-4-11/h9-12H,3-8H2,1-2H3
InChIKeyDIMSZWLCDSUOQK-UHFFFAOYSA-N
XLogP2.20
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(Cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,2,4-triazole
CID 58157881
5-(1-Ethylazetidin-3-yl)-1-propan-2-yl-1,2,4-triazole
CID 67734782
5-(3-Ethylcyclobutyl)-1-propan-2-yl-1,2,4-triazole
CID 67736475
1-(Cyclobutylmethyl)-5-propyl-1,2,4-triazole
CID 88974515
4-Cyclopropyl-3-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazole
CID 90130761
3-Cyclobutyl-4-cyclopropyl-1,2,4-triazole
CID 115394261
1-Cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-triazole
CID 123438888
3-(2-Methylcyclopropyl)-1-propan-2-yl-1,2,4-triazole
CID 123853374
3-Cyclobutyl-1-propan-2-yl-1,2,4-triazole
CID 142486366
6-(3-Cyclopropyl-1H-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane
CID 162745822
1-(4,4-Dimethylpentan-2-yl)-3-propan-2-yl-1,2,4-triazole;ethane
CID 163239130
5-[3-(3-Tert-butylazetidin-1-yl)-2,2-dimethylpropyl]-1-methyl-1,2,4-triazole
CID 167247243

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-propan-2-yl-2-azaspiro[3.3]heptane?
The IUPAC name of 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-propan-2-yl-2-azaspiro[3.3]heptane (CID 174309009) is 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-propan-2-yl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-propan-2-yl-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-propan-2-yl-2-azaspiro[3.3]heptane is CC(C)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1.
What is the InChIKey of 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-propan-2-yl-2-azaspiro[3.3]heptane?
The InChIKey is DIMSZWLCDSUOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10(2)17-7-14(8-17)5-12(6-14)18-9-15-13(16-18)11-3-4-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-propan-2-yl-2-azaspiro[3.3]heptane?
6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-propan-2-yl-2-azaspiro[3.3]heptane has a molecular weight of 246.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 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-propan-2-yl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 174309009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).