3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol

C17H30N4O2 — CID 110009097

IUPAC3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(Cc1ncnn1CC(C)C)CC2
InChIInChI=1S/C17H30N4O2/c1-4-23-15-9-14(22)17(15)5-7-20(8-6-17)11-16-18-12-19-21(16)10-13(2)3/h12-15,22H,4-11H2,1-3H3
InChIKeyOQJBCTPJSSBPQU-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.69
Rot. Bonds6

About 3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol

3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol (PubChem CID 110009097) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol
PubChem CID110009097
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(Cc1ncnn1CC(C)C)CC2
InChIInChI=1S/C17H30N4O2/c1-4-23-15-9-14(22)17(15)5-7-20(8-6-17)11-16-18-12-19-21(16)10-13(2)3/h12-15,22H,4-11H2,1-3H3
InChIKeyOQJBCTPJSSBPQU-UHFFFAOYSA-N
XLogP1.69
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol with MolForge

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Related Compounds

3-ethoxy-7-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111457114
[4-ethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol
CID 110009710
N,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine
CID 115304991
7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457282
7-[(4-chlorophenyl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457307
3-ethoxy-7-[(1-phenyltetrazol-5-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111457359
3-ethoxy-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111457237
(1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 97216261
[3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine
CID 114082090
3-amino-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 107324776
3-ethoxy-7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-azaspiro[3.5]nonan-1-ol
CID 167859325
2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115970091

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of 3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol (CID 110009097) is 3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for 3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for 3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol is CCOC1CC(O)C12CCN(Cc1ncnn1CC(C)C)CC2.
What is the InChIKey of 3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is OQJBCTPJSSBPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-4-23-15-9-14(22)17(15)5-7-20(8-6-17)11-16-18-12-19-21(16)10-13(2)3/h12-15,22H,4-11H2,1-3H3.
What are the key properties of 3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol?
3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 322.45 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 110009097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).