formic acid;(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone

C17H27N5O4 — CID 163334341

IUPACformic acid;(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
SMILESCN1CCN(C(=O)C2CCc3ncnn3C2)CC12CCOCC2.O=CO
InChIInChI=1S/C16H25N5O2.CH2O2/c1-19-6-7-20(11-16(19)4-8-23-9-5-16)15(22)13-2-3-14-17-12-18-21(14)10-13;2-1-3/h12-13H,2-11H2,1H3;1H,(H,2,3)
InChIKeyXQYOFSCHBPZZPO-UHFFFAOYSA-N
MW365.43 g/mol
LogP-0.14
Rot. Bonds1

About formic acid;(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone

formic acid;(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone (PubChem CID 163334341) has the molecular formula C17H27N5O4 and a molecular weight of 365.43 g/mol. Its IUPAC name is formic acid;(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Nameformic acid;(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
PubChem CID163334341
Molecular FormulaC17H27N5O4
Molecular Weight365.43 g/mol
Exact Mass365.21
IUPAC Nameformic acid;(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
SMILESCN1CCN(C(=O)C2CCc3ncnn3C2)CC12CCOCC2.O=CO
InChIInChI=1S/C16H25N5O2.CH2O2/c1-19-6-7-20(11-16(19)4-8-23-9-5-16)15(22)13-2-3-14-17-12-18-21(14)10-13;2-1-3/h12-13H,2-11H2,1H3;1H,(H,2,3)
InChIKeyXQYOFSCHBPZZPO-UHFFFAOYSA-N
XLogP-0.14
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze formic acid;(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of formic acid;(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The IUPAC name of formic acid;(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone (CID 163334341) is formic acid;(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone.
What is the SMILES notation for formic acid;(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The canonical SMILES for formic acid;(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone is CN1CCN(C(=O)C2CCc3ncnn3C2)CC12CCOCC2.O=CO.
What is the InChIKey of formic acid;(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The InChIKey is XQYOFSCHBPZZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2.CH2O2/c1-19-6-7-20(11-16(19)4-8-23-9-5-16)15(22)13-2-3-14-17-12-18-21(14)10-13;2-1-3/h12-13H,2-11H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
formic acid;(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone has a molecular weight of 365.43 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone is sourced from PubChem (CID 163334341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).