7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C13H21N5O2 — CID 72894349

IUPAC7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CCO)CCCC12CCN(Cc1cn[nH]n1)C2
InChIInChI=1S/C13H21N5O2/c19-7-6-18-4-1-2-13(12(18)20)3-5-17(10-13)9-11-8-14-16-15-11/h8,19H,1-7,9-10H2,(H,14,15,16)
InChIKeyWLVXZBFNPOQUNY-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.39
Rot. Bonds4

About 7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72894349) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72894349
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CCO)CCCC12CCN(Cc1cn[nH]n1)C2
InChIInChI=1S/C13H21N5O2/c19-7-6-18-4-1-2-13(12(18)20)3-5-17(10-13)9-11-8-14-16-15-11/h8,19H,1-7,9-10H2,(H,14,15,16)
InChIKeyWLVXZBFNPOQUNY-UHFFFAOYSA-N
XLogP-0.39
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 97119587
2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72843018
2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72927024
4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile
CID 97149326
7-(2-hydroxyethyl)-2-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 86285913
5-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 97148508
7-(2-methoxyethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45190498
(5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 136818945
(5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97126925
N-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide
CID 97117367
2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131656169
2-(4-chloro-1-methylpyrazole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72910141

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72894349) is 7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CCO)CCCC12CCN(Cc1cn[nH]n1)C2.
What is the InChIKey of 7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WLVXZBFNPOQUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c19-7-6-18-4-1-2-13(12(18)20)3-5-17(10-13)9-11-8-14-16-15-11/h8,19H,1-7,9-10H2,(H,14,15,16).
What are the key properties of 7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 279.34 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72894349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).