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

C17H24N4O4 — CID 131672685

IUPAC1'-(cyclopropanecarbonyl)-2-(2-methylpropyl)spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
SMILESCC(C)Cn1nc2n(c(=O)c1=O)CC1(CCN(C(=O)C3CC3)C1)OC2
InChIInChI=1S/C17H24N4O4/c1-11(2)7-21-16(24)15(23)20-10-17(25-8-13(20)18-21)5-6-19(9-17)14(22)12-3-4-12/h11-12H,3-10H2,1-2H3
InChIKeyLAKQDPVQYOPDIT-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.03
Rot. Bonds3

About 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

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 (PubChem CID 131672685) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1'-(cyclopropanecarbonyl)-2-(2-methylpropyl)spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
PubChem CID131672685
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name1'-(cyclopropanecarbonyl)-2-(2-methylpropyl)spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
SMILESCC(C)Cn1nc2n(c(=O)c1=O)CC1(CCN(C(=O)C3CC3)C1)OC2
InChIInChI=1S/C17H24N4O4/c1-11(2)7-21-16(24)15(23)20-10-17(25-8-13(20)18-21)5-6-19(9-17)14(22)12-3-4-12/h11-12H,3-10H2,1-2H3
InChIKeyLAKQDPVQYOPDIT-UHFFFAOYSA-N
XLogP-0.03
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-(cyclohexylmethyl)-1'-(cyclopropanecarbonyl)spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
CID 131672715
cyclopropyl-(3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone
CID 131670043
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-(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-ethyl-1'-[4-(tetrazol-1-yl)benzoyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
CID 165426875
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
2-(cyclohexylmethyl)-1'-(furan-2-ylmethyl)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 155827527
[1-(2-methylpropyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 883920
4-(cyclopropylmethyl)-8-(4-methylcyclohexanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131684285
[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 125462383
2-methyl-1'-(1,3-thiazol-2-ylmethyl)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 155851994
2-[2-(3-methylspiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)-2-oxoethyl]phthalazin-1-one
CID 154570778

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Cn1nc2n(c(=O)c1=O)CC1(CCN(C(=O)C3CC3)C1)OC2.
What is the InChIKey of 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?
The InChIKey is LAKQDPVQYOPDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-11(2)7-21-16(24)15(23)20-10-17(25-8-13(20)18-21)5-6-19(9-17)14(22)12-3-4-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 348.40 g/mol, XLogP of -0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 131672685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).