2-(2-methylpropyl)-8-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C18H24N6O2 — CID 72929929

IUPAC2-(2-methylpropyl)-8-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CN1CC2(CCN(C(=O)c3nc4ncccn4n3)CC2)CC1=O
InChIInChI=1S/C18H24N6O2/c1-13(2)11-23-12-18(10-14(23)25)4-8-22(9-5-18)16(26)15-20-17-19-6-3-7-24(17)21-15/h3,6-7,13H,4-5,8-12H2,1-2H3
InChIKeyOOISNLRDKRTRAB-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.24
Rot. Bonds3

About 2-(2-methylpropyl)-8-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

2-(2-methylpropyl)-8-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72929929) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(2-methylpropyl)-8-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-8-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72929929
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-(2-methylpropyl)-8-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CN1CC2(CCN(C(=O)c3nc4ncccn4n3)CC2)CC1=O
InChIInChI=1S/C18H24N6O2/c1-13(2)11-23-12-18(10-14(23)25)4-8-22(9-5-18)16(26)15-20-17-19-6-3-7-24(17)21-15/h3,6-7,13H,4-5,8-12H2,1-2H3
InChIKeyOOISNLRDKRTRAB-UHFFFAOYSA-N
XLogP1.24
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-8-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(2-methylpropyl)-8-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72929929) is 2-(2-methylpropyl)-8-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(2-methylpropyl)-8-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(2-methylpropyl)-8-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is CC(C)CN1CC2(CCN(C(=O)c3nc4ncccn4n3)CC2)CC1=O.
What is the InChIKey of 2-(2-methylpropyl)-8-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is OOISNLRDKRTRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13(2)11-23-12-18(10-14(23)25)4-8-22(9-5-18)16(26)15-20-17-19-6-3-7-24(17)21-15/h3,6-7,13H,4-5,8-12H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-8-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
2-(2-methylpropyl)-8-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 356.43 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-8-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72929929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).