2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C16H24N4O3 — CID 91782647

IUPAC2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1nc2n(c1=O)CC(C(=O)N1CCOC3(CCCC3)C1)CC2
InChIInChI=1S/C16H24N4O3/c1-18-15(22)20-10-12(4-5-13(20)17-18)14(21)19-8-9-23-16(11-19)6-2-3-7-16/h12H,2-11H2,1H3
InChIKeyYJELBDPJSJYSSO-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.32
Rot. Bonds1

About 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 91782647) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID91782647
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1nc2n(c1=O)CC(C(=O)N1CCOC3(CCCC3)C1)CC2
InChIInChI=1S/C16H24N4O3/c1-18-15(22)20-10-12(4-5-13(20)17-18)14(21)19-8-9-23-16(11-19)6-2-3-7-16/h12H,2-11H2,1H3
InChIKeyYJELBDPJSJYSSO-UHFFFAOYSA-N
XLogP0.32
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

2-Methyl-6-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56873416
(6S)-2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 100091224
(6R)-2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 100091227
6-({4-[(dimethylamino)methyl]-4-methoxy-1-piperidinyl}carbonyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CID 162630968

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 91782647) is 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cn1nc2n(c1=O)CC(C(=O)N1CCOC3(CCCC3)C1)CC2.
What is the InChIKey of 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is YJELBDPJSJYSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-18-15(22)20-10-12(4-5-13(20)17-18)14(21)19-8-9-23-16(11-19)6-2-3-7-16/h12H,2-11H2,1H3.
What are the key properties of 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 320.39 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 91782647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).