2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

C13H19N5O2 — CID 131688867

IUPAC2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCCN(C(=O)c3ncn(C)n3)C2)C1=O
InChIInChI=1S/C13H19N5O2/c1-16-7-5-13(12(16)20)4-3-6-18(8-13)11(19)10-14-9-17(2)15-10/h9H,3-8H2,1-2H3
InChIKeyMACOWDDSYKUVNN-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.10
Rot. Bonds1

About 2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131688867) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131688867
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCCN(C(=O)c3ncn(C)n3)C2)C1=O
InChIInChI=1S/C13H19N5O2/c1-16-7-5-13(12(16)20)4-3-6-18(8-13)11(19)10-14-9-17(2)15-10/h9H,3-8H2,1-2H3
InChIKeyMACOWDDSYKUVNN-UHFFFAOYSA-N
XLogP-0.10
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 119059917
2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131681723
(5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95223658
7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131694806
(5R)-7-methyl-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95201542
(5R)-2-(1,3-benzodioxole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 25385054
2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205610
6-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1H-pyrimidine-2,4-dione
CID 95218005
4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 97139079
(5R)-2-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97115970
(5S)-9-(1-methylpyrazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490395
2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45232149

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (CID 131688867) is 2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is CN1CCC2(CCCN(C(=O)c3ncn(C)n3)C2)C1=O.
What is the InChIKey of 2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is MACOWDDSYKUVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-16-7-5-13(12(16)20)4-3-6-18(8-13)11(19)10-14-9-17(2)15-10/h9H,3-8H2,1-2H3.
What are the key properties of 2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 277.33 g/mol, XLogP of -0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131688867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).