7-(cyclobutylmethyl)-2-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C20H28N6O2 — CID 72912343

IUPAC7-(cyclobutylmethyl)-2-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc2nc(CN3CCC4(CCCN(CC5CCC5)C4=O)C3)cc(=O)n2[nH]1
InChIInChI=1S/C20H28N6O2/c1-14-21-19-22-16(10-17(27)26(19)23-14)12-24-9-7-20(13-24)6-3-8-25(18(20)28)11-15-4-2-5-15/h10,15H,2-9,11-13H2,1H3,(H,21,22,23)
InChIKeyBYBQABFQIVGGIW-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.34
Rot. Bonds4

About 7-(cyclobutylmethyl)-2-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72912343) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72912343
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name7-(cyclobutylmethyl)-2-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc2nc(CN3CCC4(CCCN(CC5CCC5)C4=O)C3)cc(=O)n2[nH]1
InChIInChI=1S/C20H28N6O2/c1-14-21-19-22-16(10-17(27)26(19)23-14)12-24-9-7-20(13-24)6-3-8-25(18(20)28)11-15-4-2-5-15/h10,15H,2-9,11-13H2,1H3,(H,21,22,23)
InChIKeyBYBQABFQIVGGIW-UHFFFAOYSA-N
XLogP1.34
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72912343) is 7-(cyclobutylmethyl)-2-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is Cc1nc2nc(CN3CCC4(CCCN(CC5CCC5)C4=O)C3)cc(=O)n2[nH]1.
What is the InChIKey of 7-(cyclobutylmethyl)-2-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is BYBQABFQIVGGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-14-21-19-22-16(10-17(27)26(19)23-14)12-24-9-7-20(13-24)6-3-8-25(18(20)28)11-15-4-2-5-15/h10,15H,2-9,11-13H2,1H3,(H,21,22,23).
What are the key properties of 7-(cyclobutylmethyl)-2-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 384.48 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72912343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).