5-(1-oxaspiro[4.5]decan-7-ylmethyl)-1H-1,2,4-triazole

C12H19N3O — CID 70186275

IUPAC5-(1-oxaspiro[4.5]decan-7-ylmethyl)-1H-1,2,4-triazole
SMILESc1n[nH]c(CC2CCCC3(CCCO3)C2)n1
InChIInChI=1S/C12H19N3O/c1-3-10(7-11-13-9-14-15-11)8-12(4-1)5-2-6-16-12/h9-10H,1-8H2,(H,13,14,15)
InChIKeyWFPCAKFIDNCKSR-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.09
Rot. Bonds2

About 5-(1-oxaspiro[4.5]decan-7-ylmethyl)-1H-1,2,4-triazole

5-(1-oxaspiro[4.5]decan-7-ylmethyl)-1H-1,2,4-triazole (PubChem CID 70186275) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-(1-oxaspiro[4.5]decan-7-ylmethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(1-oxaspiro[4.5]decan-7-ylmethyl)-1H-1,2,4-triazole
PubChem CID70186275
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-(1-oxaspiro[4.5]decan-7-ylmethyl)-1H-1,2,4-triazole
SMILESc1n[nH]c(CC2CCCC3(CCCO3)C2)n1
InChIInChI=1S/C12H19N3O/c1-3-10(7-11-13-9-14-15-11)8-12(4-1)5-2-6-16-12/h9-10H,1-8H2,(H,13,14,15)
InChIKeyWFPCAKFIDNCKSR-UHFFFAOYSA-N
XLogP2.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1h-1,2,4-Triazol-5-yl)bicyclo[3.3.1]nonan-7-ol
CID 155294659
5-[3-(oxan-3-yl)propyl]-1H-1,2,4-triazole
CID 57175526
7-(1H-1,2,4-triazol-5-ylmethyl)-1-oxa-2-azaspiro[4.5]decane
CID 70186276
5-[2,2,6,6-tetramethyl-7-(oxolan-2-yl)heptan-3-yl]-1H-1,2,4-triazole
CID 134480995
5-(3-methoxycyclohexyl)-1H-1,2,4-triazole
CID 140427147
1-oxaspiro[5.5]undecan-4-yl(1H-1,2,4-triazol-5-yl)methanamine
CID 79911169
6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methanamine
CID 79911255
5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methanamine
CID 79911425
N-[6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 79911427
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine
CID 79911599
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine
CID 79911693
N-[1-oxaspiro[5.5]undecan-4-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 79912207

Frequently Asked Questions

What is the IUPAC name of 5-(1-oxaspiro[4.5]decan-7-ylmethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(1-oxaspiro[4.5]decan-7-ylmethyl)-1H-1,2,4-triazole (CID 70186275) is 5-(1-oxaspiro[4.5]decan-7-ylmethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(1-oxaspiro[4.5]decan-7-ylmethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(1-oxaspiro[4.5]decan-7-ylmethyl)-1H-1,2,4-triazole is c1n[nH]c(CC2CCCC3(CCCO3)C2)n1.
What is the InChIKey of 5-(1-oxaspiro[4.5]decan-7-ylmethyl)-1H-1,2,4-triazole?
The InChIKey is WFPCAKFIDNCKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-10(7-11-13-9-14-15-11)8-12(4-1)5-2-6-16-12/h9-10H,1-8H2,(H,13,14,15).
What are the key properties of 5-(1-oxaspiro[4.5]decan-7-ylmethyl)-1H-1,2,4-triazole?
5-(1-oxaspiro[4.5]decan-7-ylmethyl)-1H-1,2,4-triazole has a molecular weight of 221.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-oxaspiro[4.5]decan-7-ylmethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 70186275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).