7-butyl-3,9-dimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;7-butyl-3,4,9-trimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-1-(3-methylbutyl)-7-propyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-7-(2-methylpropyl)-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;1,3,9-trimethyl-7-[(3-methylphenyl)methyl]-4H-purino[8,7-c][1,2,4]triazine-6,8-dione

C84H114N30O10 — CID 159299357

About 7-butyl-3,9-dimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;7-butyl-3,4,9-trimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-1-(3-methylbutyl)-7-propyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-7-(2-methylpropyl)-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;1,3,9-trimethyl-7-[(3-methylphenyl)methyl]-4H-purino[8,7-c][1,2,4]triazine-6,8-dione

7-butyl-3,9-dimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;7-butyl-3,4,9-trimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-1-(3-methylbutyl)-7-propyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-7-(2-methylpropyl)-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;1,3,9-trimethyl-7-[(3-methylphenyl)methyl]-4H-purino[8,7-c][1,2,4]triazine-6,8-dione (PubChem CID 159299357) has the molecular formula C84H114N30O10 and a molecular weight of 1704.04 g/mol. Its IUPAC name is 7-butyl-3,9-dimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;7-butyl-3,4,9-trimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-1-(3-methylbutyl)-7-propyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-7-(2-methylpropyl)-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;1,3,9-trimethyl-7-[(3-methylphenyl)methyl]-4H-purino[8,7-c][1,2,4]triazine-6,8-dione.

Molecular Properties

• Compound Name: 7-butyl-3,9-dimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;7-butyl-3,4,9-trimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-1-(3-methylbutyl)-7-propyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-7-(2-methylpropyl)-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;1,3,9-trimethyl-7-[(3-methylphenyl)methyl]-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
• PubChem CID: 159299357
• Molecular Formula: C84H114N30O10
• Molecular Weight: 1704.04 g/mol
• Exact Mass: 1702.93
• IUPAC Name: 7-butyl-3,9-dimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;7-butyl-3,4,9-trimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-1-(3-methylbutyl)-7-propyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-7-(2-methylpropyl)-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;1,3,9-trimethyl-7-[(3-methylphenyl)methyl]-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
• SMILES: C=CCN1N=C(C)C(C)n2c1nc1c2c(=O)n(CCCC)c(=O)n1C.C=CCN1N=C(C)Cn2c1nc1c2c(=O)n(CC(C)C)c(=O)n1C.C=CCN1N=C(C)Cn2c1nc1c2c(=O)n(CCCC)c(=O)n1C.CC1=NN(C)c2nc3c(c(=O)n(Cc4cccc(C)c4)c(=O)n3C)n2C1.CCCn1c(=O)c2c(nc3n2CC(C)=NN3CCC(C)C)n(C)c1=O
• InChI: InChI=1S/C18H20N6O2.C17H26N6O2.C17H24N6O2.2C16H22N6O2/c1-11-6-5-7-13(8-11)10-24-16(25)14-15(21(3)18(24)26)19-17-22(4)20-12(2)9-23(14)17;1-6-8-21-15(24)13-14(20(5)17(21)25)18-16-22(13)10-12(4)19-23(16)9-7-11(2)3;1-6-8-10-21-15(24)13-14(20(5)17(21)25)18-16-22(9-7-2)19-11(3)12(4)23(13)16;1-6-7-22-15-17-13-12(20(15)9-11(4)18-22)14(23)21(8-10(2)3)16(24)19(13)5;1-5-7-9-20-14(23)12-13(19(4)16(20)24)17-15-21(12)10-11(3)18-22(15)8-6-2/h5-8H,9-10H2,1-4H3;11H,6-10H2,1-5H3;7,12H,2,6,8-10H2,1,3-5H3;6,10H,1,7-9H2,2-5H3;6H,2,5,7-10H2,1,3-4H3
• InChIKey: LBDALZJMVIVXGZ-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 387.10 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 21
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1704.04
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-butyl-3,9-dimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;7-butyl-3,4,9-trimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-1-(3-methylbutyl)-7-propyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-7-(2-methylpropyl)-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;1,3,9-trimethyl-7-[(3-methylphenyl)methyl]-4H-purino[8,7-c][1,2,4]triazine-6,8-dione?

The IUPAC name of 7-butyl-3,9-dimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;7-butyl-3,4,9-trimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-1-(3-methylbutyl)-7-propyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-7-(2-methylpropyl)-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;1,3,9-trimethyl-7-[(3-methylphenyl)methyl]-4H-purino[8,7-c][1,2,4]triazine-6,8-dione (CID 159299357) is 7-butyl-3,9-dimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;7-butyl-3,4,9-trimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-1-(3-methylbutyl)-7-propyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-7-(2-methylpropyl)-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;1,3,9-trimethyl-7-[(3-methylphenyl)methyl]-4H-purino[8,7-c][1,2,4]triazine-6,8-dione.

What is the SMILES notation for 7-butyl-3,9-dimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;7-butyl-3,4,9-trimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-1-(3-methylbutyl)-7-propyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-7-(2-methylpropyl)-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;1,3,9-trimethyl-7-[(3-methylphenyl)methyl]-4H-purino[8,7-c][1,2,4]triazine-6,8-dione?

The canonical SMILES for 7-butyl-3,9-dimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;7-butyl-3,4,9-trimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-1-(3-methylbutyl)-7-propyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-7-(2-methylpropyl)-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;1,3,9-trimethyl-7-[(3-methylphenyl)methyl]-4H-purino[8,7-c][1,2,4]triazine-6,8-dione is C=CCN1N=C(C)C(C)n2c1nc1c2c(=O)n(CCCC)c(=O)n1C.C=CCN1N=C(C)Cn2c1nc1c2c(=O)n(CC(C)C)c(=O)n1C.C=CCN1N=C(C)Cn2c1nc1c2c(=O)n(CCCC)c(=O)n1C.CC1=NN(C)c2nc3c(c(=O)n(Cc4cccc(C)c4)c(=O)n3C)n2C1.CCCn1c(=O)c2c(nc3n2CC(C)=NN3CCC(C)C)n(C)c1=O.

What is the InChIKey of 7-butyl-3,9-dimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;7-butyl-3,4,9-trimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-1-(3-methylbutyl)-7-propyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-7-(2-methylpropyl)-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;1,3,9-trimethyl-7-[(3-methylphenyl)methyl]-4H-purino[8,7-c][1,2,4]triazine-6,8-dione?

The InChIKey is LBDALZJMVIVXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2.C17H26N6O2.C17H24N6O2.2C16H22N6O2/c1-11-6-5-7-13(8-11)10-24-16(25)14-15(21(3)18(24)26)19-17-22(4)20-12(2)9-23(14)17;1-6-8-21-15(24)13-14(20(5)17(21)25)18-16-22(13)10-12(4)19-23(16)9-7-11(2)3;1-6-8-10-21-15(24)13-14(20(5)17(21)25)18-16-22(9-7-2)19-11(3)12(4)23(13)16;1-6-7-22-15-17-13-12(20(15)9-11(4)18-22)14(23)21(8-10(2)3)16(24)19(13)5;1-5-7-9-20-14(23)12-13(19(4)16(20)24)17-15-21(12)10-11(3)18-22(15)8-6-2/h5-8H,9-10H2,1-4H3;11H,6-10H2,1-5H3;7,12H,2,6,8-10H2,1,3-5H3;6,10H,1,7-9H2,2-5H3;6H,2,5,7-10H2,1,3-4H3.

What are the key properties of 7-butyl-3,9-dimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;7-butyl-3,4,9-trimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-1-(3-methylbutyl)-7-propyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-7-(2-methylpropyl)-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;1,3,9-trimethyl-7-[(3-methylphenyl)methyl]-4H-purino[8,7-c][1,2,4]triazine-6,8-dione?

7-butyl-3,9-dimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;7-butyl-3,4,9-trimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-1-(3-methylbutyl)-7-propyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-7-(2-methylpropyl)-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;1,3,9-trimethyl-7-[(3-methylphenyl)methyl]-4H-purino[8,7-c][1,2,4]triazine-6,8-dione has a molecular weight of 1704.04 g/mol, XLogP of 6.28, 21 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 7-butyl-3,9-dimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;7-butyl-3,4,9-trimethyl-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-1-(3-methylbutyl)-7-propyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;3,9-dimethyl-7-(2-methylpropyl)-1-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione;1,3,9-trimethyl-7-[(3-methylphenyl)methyl]-4H-purino[8,7-c][1,2,4]triazine-6,8-dione is sourced from PubChem (CID 159299357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).