5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one

C13H18N6O2 — CID 155509438

IUPAC5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCN1C(=O)NCC12CN(C(=O)C1CCc3ncnn3C1)C2
InChIInChI=1S/C13H18N6O2/c1-17-12(21)14-5-13(17)6-18(7-13)11(20)9-2-3-10-15-8-16-19(10)4-9/h8-9H,2-7H2,1H3,(H,14,21)
InChIKeyAJERNFVNAQGYBF-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.92
Rot. Bonds1

About 5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one

5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one (PubChem CID 155509438) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one
PubChem CID155509438
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCN1C(=O)NCC12CN(C(=O)C1CCc3ncnn3C1)C2
InChIInChI=1S/C13H18N6O2/c1-17-12(21)14-5-13(17)6-18(7-13)11(20)9-2-3-10-15-8-16-19(10)4-9/h8-9H,2-7H2,1H3,(H,14,21)
InChIKeyAJERNFVNAQGYBF-UHFFFAOYSA-N
XLogP-0.92
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one?
The IUPAC name of 5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one (CID 155509438) is 5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one?
The canonical SMILES for 5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one is CN1C(=O)NCC12CN(C(=O)C1CCc3ncnn3C1)C2.
What is the InChIKey of 5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one?
The InChIKey is AJERNFVNAQGYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-17-12(21)14-5-13(17)6-18(7-13)11(20)9-2-3-10-15-8-16-19(10)4-9/h8-9H,2-7H2,1H3,(H,14,21).
What are the key properties of 5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one?
5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one has a molecular weight of 290.33 g/mol, XLogP of -0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one is sourced from PubChem (CID 155509438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).