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

C17H24N6O2 — CID 72891010

IUPAC2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(Cc3cc(=O)n4[nH]cnc4n3)C2)C1=O
InChIInChI=1S/C17H24N6O2/c1-12(2)22-6-3-4-17(15(22)25)5-7-21(10-17)9-13-8-14(24)23-16(20-13)18-11-19-23/h8,11-12H,3-7,9-10H2,1-2H3,(H,18,19,20)
InChIKeyZKSXTVGTKDKTIP-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.64
Rot. Bonds3

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

2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72891010) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72891010
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(Cc3cc(=O)n4[nH]cnc4n3)C2)C1=O
InChIInChI=1S/C17H24N6O2/c1-12(2)22-6-3-4-17(15(22)25)5-7-21(10-17)9-13-8-14(24)23-16(20-13)18-11-19-23/h8,11-12H,3-7,9-10H2,1-2H3,(H,18,19,20)
InChIKeyZKSXTVGTKDKTIP-UHFFFAOYSA-N
XLogP0.64
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 72891010) is 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCCC2(CCN(Cc3cc(=O)n4[nH]cnc4n3)C2)C1=O.
What is the InChIKey of 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZKSXTVGTKDKTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12(2)22-6-3-4-17(15(22)25)5-7-21(10-17)9-13-8-14(24)23-16(20-13)18-11-19-23/h8,11-12H,3-7,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.42 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72891010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).