2-(2-methylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione

C20H27N5O3 — CID 131670119

IUPAC2-(2-methylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
SMILESCc1cccc(CN2CCC3(C2)Cn2c(nn(CC(C)C)c(=O)c2=O)CO3)n1
InChIInChI=1S/C20H27N5O3/c1-14(2)9-25-19(27)18(26)24-13-20(28-11-17(24)22-25)7-8-23(12-20)10-16-6-4-5-15(3)21-16/h4-6,14H,7-13H2,1-3H3
InChIKeyIRKQBPSVLJRZCF-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.94
Rot. Bonds4

About 2-(2-methylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione

2-(2-methylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione (PubChem CID 131670119) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione.

Molecular Properties

Compound Name2-(2-methylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
PubChem CID131670119
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name2-(2-methylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
SMILESCc1cccc(CN2CCC3(C2)Cn2c(nn(CC(C)C)c(=O)c2=O)CO3)n1
InChIInChI=1S/C20H27N5O3/c1-14(2)9-25-19(27)18(26)24-13-20(28-11-17(24)22-25)7-8-23(12-20)10-16-6-4-5-15(3)21-16/h4-6,14H,7-13H2,1-3H3
InChIKeyIRKQBPSVLJRZCF-UHFFFAOYSA-N
XLogP0.94
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(2-methylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione with MolForge

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Related Compounds

2-(2-methylpropyl)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
CID 131672681
1'-[(3-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
CID 165427419
1'-(cyclopropanecarbonyl)-2-(2-methylpropyl)spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
CID 131672685
2-(cyclohexylmethyl)-1'-(pyridin-2-ylmethyl)spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
CID 131670135
1'-[(4-chlorophenyl)methyl]-2-(cyclopropylmethyl)spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
CID 131670125
2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
CID 97492474
9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471492
2-(cyclopropylmethyl)-1'-[(3-methoxyphenyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione;2,2,2-trifluoroacetic acid
CID 155830656
3-(cyclopropylmethoxy)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 134076676
1'-[(3-chlorophenyl)methyl]-2-cyclopentylspiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
CID 131670146
2-(cyclopropylmethyl)-1'-(pyridin-3-ylmethyl)spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione;bis(2,2,2-trifluoroacetic acid)
CID 155830594
[2-methyl-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740287

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione?
The IUPAC name of 2-(2-methylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione (CID 131670119) is 2-(2-methylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione.
What is the SMILES notation for 2-(2-methylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione?
The canonical SMILES for 2-(2-methylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione is Cc1cccc(CN2CCC3(C2)Cn2c(nn(CC(C)C)c(=O)c2=O)CO3)n1.
What is the InChIKey of 2-(2-methylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione?
The InChIKey is IRKQBPSVLJRZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-14(2)9-25-19(27)18(26)24-13-20(28-11-17(24)22-25)7-8-23(12-20)10-16-6-4-5-15(3)21-16/h4-6,14H,7-13H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione?
2-(2-methylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione has a molecular weight of 385.47 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione is sourced from PubChem (CID 131670119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).