4-methyl-2-[2-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,2,4-triazol-3-one

C14H23N5O2 — CID 128884439

IUPAC4-methyl-2-[2-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,2,4-triazol-3-one
SMILESCC1CC2(CCNCC2)CN1C(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C14H23N5O2/c1-11-7-14(3-5-15-6-4-14)9-18(11)12(20)8-19-13(21)17(2)10-16-19/h10-11,15H,3-9H2,1-2H3
InChIKeyLYNXUNOLHIQGCE-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.43
Rot. Bonds2

About 4-methyl-2-[2-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,2,4-triazol-3-one

4-methyl-2-[2-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,2,4-triazol-3-one (PubChem CID 128884439) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-methyl-2-[2-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-methyl-2-[2-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,2,4-triazol-3-one
PubChem CID128884439
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name4-methyl-2-[2-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,2,4-triazol-3-one
SMILESCC1CC2(CCNCC2)CN1C(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C14H23N5O2/c1-11-7-14(3-5-15-6-4-14)9-18(11)12(20)8-19-13(21)17(2)10-16-19/h10-11,15H,3-9H2,1-2H3
InChIKeyLYNXUNOLHIQGCE-UHFFFAOYSA-N
XLogP-0.43
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,2,4-triazol-3-one?
The IUPAC name of 4-methyl-2-[2-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,2,4-triazol-3-one (CID 128884439) is 4-methyl-2-[2-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-methyl-2-[2-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-methyl-2-[2-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,2,4-triazol-3-one is CC1CC2(CCNCC2)CN1C(=O)Cn1ncn(C)c1=O.
What is the InChIKey of 4-methyl-2-[2-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,2,4-triazol-3-one?
The InChIKey is LYNXUNOLHIQGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-11-7-14(3-5-15-6-4-14)9-18(11)12(20)8-19-13(21)17(2)10-16-19/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 4-methyl-2-[2-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,2,4-triazol-3-one?
4-methyl-2-[2-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,2,4-triazol-3-one has a molecular weight of 293.37 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,2,4-triazol-3-one is sourced from PubChem (CID 128884439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).