2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane

C13H23N5 — CID 56750221

IUPAC2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCCn1ncnc1CN1CCC2(CCCNC2)C1
InChIInChI=1S/C13H23N5/c1-2-18-12(15-11-16-18)8-17-7-5-13(10-17)4-3-6-14-9-13/h11,14H,2-10H2,1H3
InChIKeyQZWBUBMDROCQNF-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.87
Rot. Bonds3

About 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane

2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 56750221) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID56750221
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCCn1ncnc1CN1CCC2(CCCNC2)C1
InChIInChI=1S/C13H23N5/c1-2-18-12(15-11-16-18)8-17-7-5-13(10-17)4-3-6-14-9-13/h11,14H,2-10H2,1H3
InChIKeyQZWBUBMDROCQNF-UHFFFAOYSA-N
XLogP0.87
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine
CID 107385628
[3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol
CID 66060230
2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane
CID 56756882
(5R)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane
CID 95225199
2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907844
(5R)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97113837
2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 56756393
(5R)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99927907
9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77080100
2-ethyl-2,7-diazaspiro[4.4]nonane chloride
CID 53314750
7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride
CID 154891825
8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol
CID 114819655

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane (CID 56750221) is 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane is CCn1ncnc1CN1CCC2(CCCNC2)C1.
What is the InChIKey of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is QZWBUBMDROCQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-2-18-12(15-11-16-18)8-17-7-5-13(10-17)4-3-6-14-9-13/h11,14H,2-10H2,1H3.
What are the key properties of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane?
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 249.36 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 56750221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).