(5R)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C13H21N5O2 — CID 99927907

IUPAC(5R)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCn1ncnc1CN1CCC[C@@]2(C1)CN(C)C(=O)O2
InChIInChI=1S/C13H21N5O2/c1-3-18-11(14-10-15-18)7-17-6-4-5-13(9-17)8-16(2)12(19)20-13/h10H,3-9H2,1-2H3/t13-/m0/s1
InChIKeyKGIVAQUBMKAENQ-ZDUSSCGKSA-N
MW279.34 g/mol
LogP0.71
Rot. Bonds3

About (5R)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5R)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 99927907) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (5R)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID99927907
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name(5R)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCn1ncnc1CN1CCC[C@@]2(C1)CN(C)C(=O)O2
InChIInChI=1S/C13H21N5O2/c1-3-18-11(14-10-15-18)7-17-6-4-5-13(9-17)8-16(2)12(19)20-13/h10H,3-9H2,1-2H3/t13-/m0/s1
InChIKeyKGIVAQUBMKAENQ-ZDUSSCGKSA-N
XLogP0.71
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77080100
3-methyl-9-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77082111
3-methyl-9-[2-(4-propoxyphenoxy)ethyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56914456
(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
9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56899200
(5R)-9-[2-(4-chloropyrazol-1-yl)ethyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 124750783
3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 72875321
(5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95717355
9-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 70783768
(5S)-9-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95897113
(5S)-3-methyl-9-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95708927
9-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56899423

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (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) is (5R)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CCn1ncnc1CN1CCC[C@@]2(C1)CN(C)C(=O)O2.
What is the InChIKey of (5R)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is KGIVAQUBMKAENQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-18-11(14-10-15-18)7-17-6-4-5-13(9-17)8-16(2)12(19)20-13/h10H,3-9H2,1-2H3/t13-/m0/s1.
What are the key properties of (5R)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5R)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 279.34 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 99927907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).