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

C18H26N6O3 — CID 131672681

IUPAC2-(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
SMILESCC(C)Cn1nc2n(c(=O)c1=O)CC1(CCN(Cc3cnn(C)c3)C1)OC2
InChIInChI=1S/C18H26N6O3/c1-13(2)7-24-17(26)16(25)23-12-18(27-10-15(23)20-24)4-5-22(11-18)9-14-6-19-21(3)8-14/h6,8,13H,4-5,7,9-12H2,1-3H3
InChIKeySSCHOYOPCJPIRW-UHFFFAOYSA-N
MW374.45 g/mol
LogP-0.03
Rot. Bonds4

About 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

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 (PubChem CID 131672681) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID131672681
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name2-(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
SMILESCC(C)Cn1nc2n(c(=O)c1=O)CC1(CCN(Cc3cnn(C)c3)C1)OC2
InChIInChI=1S/C18H26N6O3/c1-13(2)7-24-17(26)16(25)23-12-18(27-10-15(23)20-24)4-5-22(11-18)9-14-6-19-21(3)8-14/h6,8,13H,4-5,7,9-12H2,1-3H3
InChIKeySSCHOYOPCJPIRW-UHFFFAOYSA-N
XLogP-0.03
TPSA87.18 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
CID 97485296
1'-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
CID 131673771
3-(3-fluorophenyl)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine];2,2,2-trifluoroacetic acid
CID 155853082
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
(3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371263
9-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451101
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
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-(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Cn1nc2n(c(=O)c1=O)CC1(CCN(Cc3cnn(C)c3)C1)OC2.
What is the InChIKey of 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?
The InChIKey is SSCHOYOPCJPIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-13(2)7-24-17(26)16(25)23-12-18(27-10-15(23)20-24)4-5-22(11-18)9-14-6-19-21(3)8-14/h6,8,13H,4-5,7,9-12H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 374.45 g/mol, XLogP of -0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 131672681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).