2-ethyl-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C17H24N6O — CID 70707768

IUPAC2-ethyl-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(Cc1nc3ncccn3n1)CC2
InChIInChI=1S/C17H24N6O/c1-2-22-13-17(5-4-15(22)24)6-10-21(11-7-17)12-14-19-16-18-8-3-9-23(16)20-14/h3,8-9H,2,4-7,10-13H2,1H3
InChIKeyMBEKCVWUHXJBET-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.35
Rot. Bonds3

About 2-ethyl-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

2-ethyl-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70707768) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-ethyl-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70707768
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-ethyl-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(Cc1nc3ncccn3n1)CC2
InChIInChI=1S/C17H24N6O/c1-2-22-13-17(5-4-15(22)24)6-10-21(11-7-17)12-14-19-16-18-8-3-9-23(16)20-14/h3,8-9H,2,4-7,10-13H2,1H3
InChIKeyMBEKCVWUHXJBET-UHFFFAOYSA-N
XLogP1.35
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56891951
8-([1,2,4]Triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 72925259
2-Isobutyl-8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylcarbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72929929
1-[(2S,3aR,7aS)-5-pyrimidin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]ethanone
CID 97386843
2-cyclopentyl-N-(2-(4-(4-(pyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)acetamide
CID 42099693
1-(4-Pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one
CID 110874046
2,2-Dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one
CID 110874053
Cyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone
CID 110874054
N-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134796363
N,N-dimethyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
CID 134796388
Piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone
CID 134796532
(4-Methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134797076

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70707768) is 2-ethyl-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCC1=O)CCN(Cc1nc3ncccn3n1)CC2.
What is the InChIKey of 2-ethyl-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MBEKCVWUHXJBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-2-22-13-17(5-4-15(22)24)6-10-21(11-7-17)12-14-19-16-18-8-3-9-23(16)20-14/h3,8-9H,2,4-7,10-13H2,1H3.
What are the key properties of 2-ethyl-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-ethyl-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 328.42 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70707768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).