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

C19H30N6O — CID 126429740

IUPAC5-[[(5S)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)(C)CN1CCC[C@]2(CCN(Cc3cc(=O)n4[nH]cnc4n3)C2)C1
InChIInChI=1S/C19H30N6O/c1-18(2,3)11-24-7-4-5-19(13-24)6-8-23(12-19)10-15-9-16(26)25-17(22-15)20-14-21-25/h9,14H,4-8,10-13H2,1-3H3,(H,20,21,22)/t19-/m1/s1
InChIKeyLIMFNKMUBILLLV-LJQANCHMSA-N
MW358.49 g/mol
LogP1.75
Rot. Bonds3

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

5-[[(5S)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 126429740) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 5-[[(5S)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[(5S)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID126429740
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name5-[[(5S)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)(C)CN1CCC[C@]2(CCN(Cc3cc(=O)n4[nH]cnc4n3)C2)C1
InChIInChI=1S/C19H30N6O/c1-18(2,3)11-24-7-4-5-19(13-24)6-8-23(12-19)10-15-9-16(26)25-17(22-15)20-14-21-25/h9,14H,4-8,10-13H2,1-3H3,(H,20,21,22)/t19-/m1/s1
InChIKeyLIMFNKMUBILLLV-LJQANCHMSA-N
XLogP1.75
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 98264452
5-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 106672454
5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62022341
5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 113282380
5-[[(4aS,8aR)-4a-(hydroxymethyl)-6-propyl-3,4,5,7,8,8a-hexahydro-2H-1,6-naphthyridin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 56893566
5-[[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98289924
3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 45180938
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
CID 45229581
5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 97125856
5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 42956025
5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 31044109

Frequently Asked Questions

What is the IUPAC name of 5-[[(5S)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[(5S)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 126429740) is 5-[[(5S)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[(5S)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[(5S)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)(C)CN1CCC[C@]2(CCN(Cc3cc(=O)n4[nH]cnc4n3)C2)C1.
What is the InChIKey of 5-[[(5S)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LIMFNKMUBILLLV-LJQANCHMSA-N. The full InChI is InChI=1S/C19H30N6O/c1-18(2,3)11-24-7-4-5-19(13-24)6-8-23(12-19)10-15-9-16(26)25-17(22-15)20-14-21-25/h9,14H,4-8,10-13H2,1-3H3,(H,20,21,22)/t19-/m1/s1.
What are the key properties of 5-[[(5S)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[(5S)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 358.49 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5S)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 126429740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).