7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C22H22N6O3 — CID 10309974

IUPAC7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2cccc(N3CCC4(CC3)OCCO4)c2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C22H22N6O3/c23-21-24-17(14-19-25-20(26-28(19)21)18-5-2-10-29-18)15-3-1-4-16(13-15)27-8-6-22(7-9-27)30-11-12-31-22/h1-5,10,13-14H,6-9,11-12H2,(H2,23,24)
InChIKeyNWSAWRUURIEZGD-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.98
Rot. Bonds3

About 7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 10309974) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID10309974
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2cccc(N3CCC4(CC3)OCCO4)c2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C22H22N6O3/c23-21-24-17(14-19-25-20(26-28(19)21)18-5-2-10-29-18)15-3-1-4-16(13-15)27-8-6-22(7-9-27)30-11-12-31-22/h1-5,10,13-14H,6-9,11-12H2,(H2,23,24)
InChIKeyNWSAWRUURIEZGD-UHFFFAOYSA-N
XLogP2.98
TPSA103.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 10309974) is 7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(-c2cccc(N3CCC4(CC3)OCCO4)c2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of 7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is NWSAWRUURIEZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c23-21-24-17(14-19-25-20(26-28(19)21)18-5-2-10-29-18)15-3-1-4-16(13-15)27-8-6-22(7-9-27)30-11-12-31-22/h1-5,10,13-14H,6-9,11-12H2,(H2,23,24).
What are the key properties of 7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 418.46 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 10309974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).