4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane

C14H24N4O — CID 172908923

IUPAC4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane
SMILESCC(C)Cn1cnnc1C1CNCC12CCOCC2
InChIInChI=1S/C14H24N4O/c1-11(2)8-18-10-16-17-13(18)12-7-15-9-14(12)3-5-19-6-4-14/h10-12,15H,3-9H2,1-2H3
InChIKeyNLVQIIFDGWZXGQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.42
Rot. Bonds3

About 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane

4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane (PubChem CID 172908923) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane
PubChem CID172908923
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane
SMILESCC(C)Cn1cnnc1C1CNCC12CCOCC2
InChIInChI=1S/C14H24N4O/c1-11(2)8-18-10-16-17-13(18)12-7-15-9-14(12)3-5-19-6-4-14/h10-12,15H,3-9H2,1-2H3
InChIKeyNLVQIIFDGWZXGQ-UHFFFAOYSA-N
XLogP1.42
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-propyl-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane
CID 176515401
4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine
CID 115293386
3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine
CID 62710906
3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115395675
3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395495
3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115395572
5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid
CID 102690270
3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 64610440
2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 66433751
2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 64817796
(1-methylcyclohexyl)-[8-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]methanone
CID 155880641
3-(1-methylcyclopentyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395553

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane (CID 172908923) is 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane is CC(C)Cn1cnnc1C1CNCC12CCOCC2.
What is the InChIKey of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane?
The InChIKey is NLVQIIFDGWZXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(2)8-18-10-16-17-13(18)12-7-15-9-14(12)3-5-19-6-4-14/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane?
4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane has a molecular weight of 264.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 172908923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).