8-amino-1-tert-butyl-7-methylpurin-6-one;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one

C65H86N22O6 — CID 159005230

IUPAC8-amino-1-tert-butyl-7-methylpurin-6-one;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one
SMILESCC(C)(C)n1ncc2ncccc2c1=O.Cc1ccnc2ncn(C(C)(C)C)c(=O)c12.Cc1cncc2ncn(C(C)(C)C)c(=O)c12.Cc1cnn2ncn(C(C)(C)C)c(=O)c12.Cn1c(N)nc2ncn(C(C)(C)C)c(=O)c21.Cn1cnc2ncn(C(C)(C)C)c(=O)c21
InChIInChI=1S/2C12H15N3O.C11H13N3O.C10H15N5O.2C10H14N4O/c1-8-5-13-6-9-10(8)11(16)15(7-14-9)12(2,3)4;1-8-5-6-13-10-9(8)11(16)15(7-14-10)12(2,3)4;1-11(2,3)14-10(15)8-5-4-6-12-9(8)7-13-14;1-10(2,3)15-5-12-7-6(8(15)16)14(4)9(11)13-7;1-10(2,3)14-6-12-8-7(9(14)15)13(4)5-11-8;1-7-5-11-14-8(7)9(15)13(6-12-14)10(2,3)4/h2*5-7H,1-4H3;4-7H,1-3H3;5H,1-4H3,(H2,11,13);2*5-6H,1-4H3
InChIKeyJRVJYVFFWCKVPV-UHFFFAOYSA-N
MW1271.55 g/mol
LogP7.56
Rot. Bonds

About 8-amino-1-tert-butyl-7-methylpurin-6-one;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one

8-amino-1-tert-butyl-7-methylpurin-6-one;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one (PubChem CID 159005230) has the molecular formula C65H86N22O6 and a molecular weight of 1271.55 g/mol. Its IUPAC name is 8-amino-1-tert-butyl-7-methylpurin-6-one;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-amino-1-tert-butyl-7-methylpurin-6-one;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one
PubChem CID159005230
Molecular FormulaC65H86N22O6
Molecular Weight1271.55 g/mol
Exact Mass1270.71
IUPAC Name8-amino-1-tert-butyl-7-methylpurin-6-one;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one
SMILESCC(C)(C)n1ncc2ncccc2c1=O.Cc1ccnc2ncn(C(C)(C)C)c(=O)c12.Cc1cncc2ncn(C(C)(C)C)c(=O)c12.Cc1cnn2ncn(C(C)(C)C)c(=O)c12.Cn1c(N)nc2ncn(C(C)(C)C)c(=O)c21.Cn1cnc2ncn(C(C)(C)C)c(=O)c21
InChIInChI=1S/2C12H15N3O.C11H13N3O.C10H15N5O.2C10H14N4O/c1-8-5-13-6-9-10(8)11(16)15(7-14-9)12(2,3)4;1-8-5-6-13-10-9(8)11(16)15(7-14-10)12(2,3)4;1-11(2,3)14-10(15)8-5-4-6-12-9(8)7-13-14;1-10(2,3)15-5-12-7-6(8(15)16)14(4)9(11)13-7;1-10(2,3)14-6-12-8-7(9(14)15)13(4)5-11-8;1-7-5-11-14-8(7)9(15)13(6-12-14)10(2,3)4/h2*5-7H,1-4H3;4-7H,1-3H3;5H,1-4H3,(H2,11,13);2*5-6H,1-4H3
InChIKeyJRVJYVFFWCKVPV-UHFFFAOYSA-N
XLogP7.56
TPSA326.97 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001271.55
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze 8-amino-1-tert-butyl-7-methylpurin-6-one;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one with MolForge

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Launch Full Analysis

Related Compounds

N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazole-3,4-dicarboxamide
CID 53469250
4-(Azetidine-1-carbonyl)-1-methyl-N-(2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazole-5-carboxamide
CID 71537870
1-(4-benzoylpiperazin-1-yl)-2-[4-(3-methylpyrazol-1-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25027074
1-(4-benzoylpiperazin-1-yl)-2-[4-(3-pyridin-2-ylpyrazol-1-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 59729307
N-(5-((2-(2,2-Dimethylpyrrolidin-1-yl)ethyl)carbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283395
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283574
7-[5-Methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604256
4-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469439
1-methyl-4-N-[(5-methyl-2-pyridinyl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469620
4-N-benzyl-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469814
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-methyl-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378388

Frequently Asked Questions

What is the IUPAC name of 8-amino-1-tert-butyl-7-methylpurin-6-one;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-amino-1-tert-butyl-7-methylpurin-6-one;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one (CID 159005230) is 8-amino-1-tert-butyl-7-methylpurin-6-one;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-amino-1-tert-butyl-7-methylpurin-6-one;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-amino-1-tert-butyl-7-methylpurin-6-one;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one is CC(C)(C)n1ncc2ncccc2c1=O.Cc1ccnc2ncn(C(C)(C)C)c(=O)c12.Cc1cncc2ncn(C(C)(C)C)c(=O)c12.Cc1cnn2ncn(C(C)(C)C)c(=O)c12.Cn1c(N)nc2ncn(C(C)(C)C)c(=O)c21.Cn1cnc2ncn(C(C)(C)C)c(=O)c21.
What is the InChIKey of 8-amino-1-tert-butyl-7-methylpurin-6-one;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one?
The InChIKey is JRVJYVFFWCKVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15N3O.C11H13N3O.C10H15N5O.2C10H14N4O/c1-8-5-13-6-9-10(8)11(16)15(7-14-9)12(2,3)4;1-8-5-6-13-10-9(8)11(16)15(7-14-10)12(2,3)4;1-11(2,3)14-10(15)8-5-4-6-12-9(8)7-13-14;1-10(2,3)15-5-12-7-6(8(15)16)14(4)9(11)13-7;1-10(2,3)14-6-12-8-7(9(14)15)13(4)5-11-8;1-7-5-11-14-8(7)9(15)13(6-12-14)10(2,3)4/h2*5-7H,1-4H3;4-7H,1-3H3;5H,1-4H3,(H2,11,13);2*5-6H,1-4H3.
What are the key properties of 8-amino-1-tert-butyl-7-methylpurin-6-one;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one?
8-amino-1-tert-butyl-7-methylpurin-6-one;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one has a molecular weight of 1271.55 g/mol, XLogP of 7.56, 0 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-tert-butyl-7-methylpurin-6-one;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 159005230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).