2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone

C14H17N5O3 — CID 138992709

IUPAC2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone
SMILESCn1nnc2c(C(=O)N3CCOC4(CCOC4)C3)ccnc21
InChIInChI=1S/C14H17N5O3/c1-18-12-11(16-17-18)10(2-4-15-12)13(20)19-5-7-22-14(8-19)3-6-21-9-14/h2,4H,3,5-9H2,1H3
InChIKeyYIFFHRQODQEFIB-UHFFFAOYSA-N
MW303.32 g/mol
LogP-0.01
Rot. Bonds1

About 2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone

2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone (PubChem CID 138992709) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone.

Molecular Properties

Compound Name2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone
PubChem CID138992709
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone
SMILESCn1nnc2c(C(=O)N3CCOC4(CCOC4)C3)ccnc21
InChIInChI=1S/C14H17N5O3/c1-18-12-11(16-17-18)10(2-4-15-12)13(20)19-5-7-22-14(8-19)3-6-21-9-14/h2,4H,3,5-9H2,1H3
InChIKeyYIFFHRQODQEFIB-UHFFFAOYSA-N
XLogP-0.01
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone
CID 127893301
[5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 99833423
(3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone
CID 129348005
1-[(6S)-4-(pyridine-4-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97398463
1-[1-(3-methyltriazolo[4,5-b]pyridine-7-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid
CID 138038167
1-[4-(pyridazine-4-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 131663115
[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxy-3-pyridin-2-ylphenyl)methanone
CID 99823635
6-oxa-9-azaspiro[4.5]decan-9-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone
CID 166252743
[(6R)-4-methyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-pyridin-3-ylmethanone
CID 97494589
5-oxa-8-azaspiro[3.5]nonan-8-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone
CID 166252762
1-[(6R)-4-(pyrazine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97415961
methyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate
CID 137498664

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone?
The IUPAC name of 2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone (CID 138992709) is 2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone.
What is the SMILES notation for 2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone?
The canonical SMILES for 2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone is Cn1nnc2c(C(=O)N3CCOC4(CCOC4)C3)ccnc21.
What is the InChIKey of 2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone?
The InChIKey is YIFFHRQODQEFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-18-12-11(16-17-18)10(2-4-15-12)13(20)19-5-7-22-14(8-19)3-6-21-9-14/h2,4H,3,5-9H2,1H3.
What are the key properties of 2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone?
2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone has a molecular weight of 303.32 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone is sourced from PubChem (CID 138992709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).