1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one

C18H25N5O3 — CID 3245533

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCc1nc2nc(C)c(CCC(=O)N3CCC4(CC3)OCCO4)c(C)n2n1
InChIInChI=1S/C18H25N5O3/c1-12-15(13(2)23-17(19-12)20-14(3)21-23)4-5-16(24)22-8-6-18(7-9-22)25-10-11-26-18/h4-11H2,1-3H3
InChIKeyZMCQCPDZNMYXBA-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.35
Rot. Bonds3

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one (PubChem CID 3245533) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
PubChem CID3245533
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCc1nc2nc(C)c(CCC(=O)N3CCC4(CC3)OCCO4)c(C)n2n1
InChIInChI=1S/C18H25N5O3/c1-12-15(13(2)23-17(19-12)20-14(3)21-23)4-5-16(24)22-8-6-18(7-9-22)25-10-11-26-18/h4-11H2,1-3H3
InChIKeyZMCQCPDZNMYXBA-UHFFFAOYSA-N
XLogP1.35
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one with MolForge

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Related Compounds

8-[3-(5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 3241529
Ethyl 4-[3-(2,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazine-1-carboxylate
CID 3242076
8-[3-(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 3242884
5,7-Dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 3243570
Ethyl 4-{[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]amino}piperidine-1-carboxylate
CID 3245011
2,5,7-Trimethyl-6-(3-morpholin-4-yl-3-oxopropyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 3243462
Ethyl 1-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-6-YL}propanoyl)piperidine-4-carboxylate
CID 9551405
3-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-piperidin-1-ylpropan-1-one
CID 6622328
N-(2,2-Diethoxyethyl)-3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-6-YL}propanamide
CID 9551397
1-(3,5-Dimethylpiperidin-1-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 9551403
8-[3-(2,5,7-Trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 3241557
Ethyl 4-{[3-(2,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]amino}piperidine-1-carboxylate
CID 3241437

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one (CID 3245533) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one is Cc1nc2nc(C)c(CCC(=O)N3CCC4(CC3)OCCO4)c(C)n2n1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The InChIKey is ZMCQCPDZNMYXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12-15(13(2)23-17(19-12)20-14(3)21-23)4-5-16(24)22-8-6-18(7-9-22)25-10-11-26-18/h4-11H2,1-3H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one has a molecular weight of 359.43 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one is sourced from PubChem (CID 3245533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).