N,N-dimethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-8-oxa-2-azaspiro[4.5]decan-4-amine

C15H22N6O — CID 138009084

IUPACN,N-dimethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-8-oxa-2-azaspiro[4.5]decan-4-amine
SMILESCN(C)C1CN(c2nccn3cnnc23)CC12CCOCC2
InChIInChI=1S/C15H22N6O/c1-19(2)12-9-21(10-15(12)3-7-22-8-4-15)13-14-18-17-11-20(14)6-5-16-13/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyKJSDMASFKJZNGA-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.67
Rot. Bonds2

About N,N-dimethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-8-oxa-2-azaspiro[4.5]decan-4-amine

N,N-dimethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-8-oxa-2-azaspiro[4.5]decan-4-amine (PubChem CID 138009084) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N,N-dimethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-8-oxa-2-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-8-oxa-2-azaspiro[4.5]decan-4-amine
PubChem CID138009084
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN,N-dimethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-8-oxa-2-azaspiro[4.5]decan-4-amine
SMILESCN(C)C1CN(c2nccn3cnnc23)CC12CCOCC2
InChIInChI=1S/C15H22N6O/c1-19(2)12-9-21(10-15(12)3-7-22-8-4-15)13-14-18-17-11-20(14)6-5-16-13/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyKJSDMASFKJZNGA-UHFFFAOYSA-N
XLogP0.67
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-8-oxa-2-azaspiro[4.5]decan-4-amine?
The IUPAC name of N,N-dimethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-8-oxa-2-azaspiro[4.5]decan-4-amine (CID 138009084) is N,N-dimethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-8-oxa-2-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for N,N-dimethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-8-oxa-2-azaspiro[4.5]decan-4-amine?
The canonical SMILES for N,N-dimethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-8-oxa-2-azaspiro[4.5]decan-4-amine is CN(C)C1CN(c2nccn3cnnc23)CC12CCOCC2.
What is the InChIKey of N,N-dimethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-8-oxa-2-azaspiro[4.5]decan-4-amine?
The InChIKey is KJSDMASFKJZNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-19(2)12-9-21(10-15(12)3-7-22-8-4-15)13-14-18-17-11-20(14)6-5-16-13/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-8-oxa-2-azaspiro[4.5]decan-4-amine?
N,N-dimethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-8-oxa-2-azaspiro[4.5]decan-4-amine has a molecular weight of 302.38 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-8-oxa-2-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 138009084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).