5,12-dimethyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;ethanone;5-methyl-2H-pyrrolo[2,3-b]pyrazin-2-ide;12-methyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;bis(yttrium)

C30H29N9OY2-2 — CID 161436818

IUPAC5,12-dimethyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;ethanone;5-methyl-2H-pyrrolo[2,3-b]pyrazin-2-ide;12-methyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;bis(yttrium)
SMILESC[C-]=O.Cc1ccc2cnc3[nH]ccc3n12.Cc1ccc2cnc3c(ccn3C)n12.Cn1ccc2n[c-]cnc21.[Y].[Y]
InChIInChI=1S/C11H11N3.C10H9N3.C7H6N3.C2H3O.2Y/c1-8-3-4-9-7-12-11-10(14(8)9)5-6-13(11)2;1-7-2-3-8-6-12-10-9(13(7)8)4-5-11-10;1-10-5-2-6-7(10)9-4-3-8-6;1-2-3;;/h3-7H,1-2H3;2-6,11H,1H3;2,4-5H,1H3;1H3;;/q;;2*-1;;
InChIKeyYRSIPJCSDRKTAZ-UHFFFAOYSA-N
MW709.44 g/mol
LogP5.14
Rot. Bonds

About 5,12-dimethyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;ethanone;5-methyl-2H-pyrrolo[2,3-b]pyrazin-2-ide;12-methyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;bis(yttrium)

5,12-dimethyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;ethanone;5-methyl-2H-pyrrolo[2,3-b]pyrazin-2-ide;12-methyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;bis(yttrium) (PubChem CID 161436818) has the molecular formula C30H29N9OY2-2 and a molecular weight of 709.44 g/mol. Its IUPAC name is 5,12-dimethyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;ethanone;5-methyl-2H-pyrrolo[2,3-b]pyrazin-2-ide;12-methyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;bis(yttrium).

Molecular Properties

Compound Name5,12-dimethyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;ethanone;5-methyl-2H-pyrrolo[2,3-b]pyrazin-2-ide;12-methyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;bis(yttrium)
PubChem CID161436818
Molecular FormulaC30H29N9OY2-2
Molecular Weight709.44 g/mol
Exact Mass709.06
IUPAC Name5,12-dimethyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;ethanone;5-methyl-2H-pyrrolo[2,3-b]pyrazin-2-ide;12-methyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;bis(yttrium)
SMILESC[C-]=O.Cc1ccc2cnc3[nH]ccc3n12.Cc1ccc2cnc3c(ccn3C)n12.Cn1ccc2n[c-]cnc21.[Y].[Y]
InChIInChI=1S/C11H11N3.C10H9N3.C7H6N3.C2H3O.2Y/c1-8-3-4-9-7-12-11-10(14(8)9)5-6-13(11)2;1-7-2-3-8-6-12-10-9(13(7)8)4-5-11-10;1-10-5-2-6-7(10)9-4-3-8-6;1-2-3;;/h3-7H,1-2H3;2-6,11H,1H3;2,4-5H,1H3;1H3;;/q;;2*-1;;
InChIKeyYRSIPJCSDRKTAZ-UHFFFAOYSA-N
XLogP5.14
TPSA103.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5,12-dimethyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;ethanone;5-methyl-2H-pyrrolo[2,3-b]pyrazin-2-ide;12-methyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;bis(yttrium) with MolForge

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Related Compounds

3-[(3r)-3-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)piperidin-1-Yl]-3-Oxopropanenitrile
CID 53341457
4-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-phenylpyrimidin-2-amine
CID 6539009
2-Anilino-4-(imidazo[1,2-a]pyrid-3-yl)pyrimidine
CID 6539022
[4-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)piperidin-1-Yl][(2s)-1-(Propan-2-Yl)pyrrolidin-2-Yl]methanone
CID 53341544
1-(1-Benzylpiperidin-4-Yl)-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973425
2-Methyl-1-(Piperidin-4-Yl)-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 57339437
1-(Piperidin-4-Yl)-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 57339438
2,2-Dimethyl-3-[(4-{[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]amino}pyrimidin-2-Yl)amino]propanamide
CID 76280903
N-[4-(2-Methylimidazo[1,2-A]pyridin-3-YL)-2-pyrimidinyl]acetamide
CID 447652
3-[4-(4-Methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-1-yl]propanenitrile
CID 58395446
N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-purin-6-amine
CID 126622458
4-(4-{[2-{[(3s)-1-Acetylpyrrolidin-3-Yl]amino}-9-(Propan-2-Yl)-9h-Purin-6-Yl]amino}phenyl)-1-Methylpiperazin-1-Ium
CID 124222449

Frequently Asked Questions

What is the IUPAC name of 5,12-dimethyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;ethanone;5-methyl-2H-pyrrolo[2,3-b]pyrazin-2-ide;12-methyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;bis(yttrium)?
The IUPAC name of 5,12-dimethyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;ethanone;5-methyl-2H-pyrrolo[2,3-b]pyrazin-2-ide;12-methyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;bis(yttrium) (CID 161436818) is 5,12-dimethyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;ethanone;5-methyl-2H-pyrrolo[2,3-b]pyrazin-2-ide;12-methyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;bis(yttrium).
What is the SMILES notation for 5,12-dimethyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;ethanone;5-methyl-2H-pyrrolo[2,3-b]pyrazin-2-ide;12-methyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;bis(yttrium)?
The canonical SMILES for 5,12-dimethyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;ethanone;5-methyl-2H-pyrrolo[2,3-b]pyrazin-2-ide;12-methyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;bis(yttrium) is C[C-]=O.Cc1ccc2cnc3[nH]ccc3n12.Cc1ccc2cnc3c(ccn3C)n12.Cn1ccc2n[c-]cnc21.[Y].[Y].
What is the InChIKey of 5,12-dimethyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;ethanone;5-methyl-2H-pyrrolo[2,3-b]pyrazin-2-ide;12-methyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;bis(yttrium)?
The InChIKey is YRSIPJCSDRKTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3.C10H9N3.C7H6N3.C2H3O.2Y/c1-8-3-4-9-7-12-11-10(14(8)9)5-6-13(11)2;1-7-2-3-8-6-12-10-9(13(7)8)4-5-11-10;1-10-5-2-6-7(10)9-4-3-8-6;1-2-3;;/h3-7H,1-2H3;2-6,11H,1H3;2,4-5H,1H3;1H3;;/q;;2*-1;;.
What are the key properties of 5,12-dimethyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;ethanone;5-methyl-2H-pyrrolo[2,3-b]pyrazin-2-ide;12-methyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;bis(yttrium)?
5,12-dimethyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;ethanone;5-methyl-2H-pyrrolo[2,3-b]pyrazin-2-ide;12-methyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;bis(yttrium) has a molecular weight of 709.44 g/mol, XLogP of 5.14, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dimethyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;ethanone;5-methyl-2H-pyrrolo[2,3-b]pyrazin-2-ide;12-methyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;bis(yttrium) is sourced from PubChem (CID 161436818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).