2-[2-(2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C16H22N6O2 — CID 56741925

IUPAC2-[2-(2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CC(=O)N3CCCC4(CCNC4)C3)nc2n1
InChIInChI=1S/C16H22N6O2/c1-11-7-14(24)22-15(18-11)19-12(20-22)8-13(23)21-6-2-3-16(10-21)4-5-17-9-16/h7,17H,2-6,8-10H2,1H3,(H,18,19,20)
InChIKeyUNLUYWBPAVEOJK-UHFFFAOYSA-N
MW330.39 g/mol
LogP-0.13
Rot. Bonds2

About 2-[2-(2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-[2-(2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 56741925) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[2-(2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[2-(2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID56741925
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-[2-(2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CC(=O)N3CCCC4(CCNC4)C3)nc2n1
InChIInChI=1S/C16H22N6O2/c1-11-7-14(24)22-15(18-11)19-12(20-22)8-13(23)21-6-2-3-16(10-21)4-5-17-9-16/h7,17H,2-6,8-10H2,1H3,(H,18,19,20)
InChIKeyUNLUYWBPAVEOJK-UHFFFAOYSA-N
XLogP-0.13
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[2-(2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 56741925) is 2-[2-(2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[2-(2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[2-(2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(CC(=O)N3CCCC4(CCNC4)C3)nc2n1.
What is the InChIKey of 2-[2-(2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UNLUYWBPAVEOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11-7-14(24)22-15(18-11)19-12(20-22)8-13(23)21-6-2-3-16(10-21)4-5-17-9-16/h7,17H,2-6,8-10H2,1H3,(H,18,19,20).
What are the key properties of 2-[2-(2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-[2-(2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 330.39 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 56741925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).