formic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C16H23N5O4 — CID 163334360

IUPACformic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(C(=O)C3CCc4ncnn4C3)CC2)N1.O=CO
InChIInChI=1S/C15H21N5O2.CH2O2/c21-13-3-4-15(18-13)5-7-19(8-6-15)14(22)11-1-2-12-16-10-17-20(12)9-11;2-1-3/h10-11H,1-9H2,(H,18,21);1H,(H,2,3)
InChIKeyVWOGQVVLLGTFAP-UHFFFAOYSA-N
MW349.39 g/mol
LogP-0.19
Rot. Bonds1

About formic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

formic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 163334360) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is formic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Nameformic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID163334360
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Nameformic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(C(=O)C3CCc4ncnn4C3)CC2)N1.O=CO
InChIInChI=1S/C15H21N5O2.CH2O2/c21-13-3-4-15(18-13)5-7-19(8-6-15)14(22)11-1-2-12-16-10-17-20(12)9-11;2-1-3/h10-11H,1-9H2,(H,18,21);1H,(H,2,3)
InChIKeyVWOGQVVLLGTFAP-UHFFFAOYSA-N
XLogP-0.19
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of formic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of formic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 163334360) is formic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for formic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for formic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCN(C(=O)C3CCc4ncnn4C3)CC2)N1.O=CO.
What is the InChIKey of formic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VWOGQVVLLGTFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2.CH2O2/c21-13-3-4-15(18-13)5-7-19(8-6-15)14(22)11-1-2-12-16-10-17-20(12)9-11;2-1-3/h10-11H,1-9H2,(H,18,21);1H,(H,2,3).
What are the key properties of formic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
formic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 349.39 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 163334360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).