13,15-dimethyl-13,15,17-triazatricyclo[8.7.1.011,16]octadeca-1(17),10(18),11(16)-triene-12,14-dione

C17H23N3O2 — CID 15882302

IUPAC13,15-dimethyl-13,15,17-triazatricyclo[8.7.1.011,16]octadeca-1(17),10(18),11(16)-triene-12,14-dione
SMILESCn1c(=O)c2c3cc(nc2n(C)c1=O)CCCCCCCC3
InChIInChI=1S/C17H23N3O2/c1-19-15-14(16(21)20(2)17(19)22)12-9-7-5-3-4-6-8-10-13(11-12)18-15/h11H,3-10H2,1-2H3
InChIKeyDBVCYJMBPQCVNX-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.07
Rot. Bonds

About 13,15-dimethyl-13,15,17-triazatricyclo[8.7.1.011,16]octadeca-1(17),10(18),11(16)-triene-12,14-dione

13,15-dimethyl-13,15,17-triazatricyclo[8.7.1.011,16]octadeca-1(17),10(18),11(16)-triene-12,14-dione (PubChem CID 15882302) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 13,15-dimethyl-13,15,17-triazatricyclo[8.7.1.011,16]octadeca-1(17),10(18),11(16)-triene-12,14-dione.

Molecular Properties

Compound Name13,15-dimethyl-13,15,17-triazatricyclo[8.7.1.011,16]octadeca-1(17),10(18),11(16)-triene-12,14-dione
PubChem CID15882302
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name13,15-dimethyl-13,15,17-triazatricyclo[8.7.1.011,16]octadeca-1(17),10(18),11(16)-triene-12,14-dione
SMILESCn1c(=O)c2c3cc(nc2n(C)c1=O)CCCCCCCC3
InChIInChI=1S/C17H23N3O2/c1-19-15-14(16(21)20(2)17(19)22)12-9-7-5-3-4-6-8-10-13(11-12)18-15/h11H,3-10H2,1-2H3
InChIKeyDBVCYJMBPQCVNX-UHFFFAOYSA-N
XLogP2.07
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,4,6-trione
CID 13142789
7-amino-5-anilino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 2786085
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CID 16845318
5-amino-2,4,7,9-tetramethylpyrimido[4,5-h][1,6]naphthyridine-8,10-dione
CID 46872676
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CID 5310183
1,3-dimethyl-7-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]purine-2,6-dione
CID 167796880
methyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 822286
7-cyclopentyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 16812391
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Frequently Asked Questions

What is the IUPAC name of 13,15-dimethyl-13,15,17-triazatricyclo[8.7.1.011,16]octadeca-1(17),10(18),11(16)-triene-12,14-dione?
The IUPAC name of 13,15-dimethyl-13,15,17-triazatricyclo[8.7.1.011,16]octadeca-1(17),10(18),11(16)-triene-12,14-dione (CID 15882302) is 13,15-dimethyl-13,15,17-triazatricyclo[8.7.1.011,16]octadeca-1(17),10(18),11(16)-triene-12,14-dione.
What is the SMILES notation for 13,15-dimethyl-13,15,17-triazatricyclo[8.7.1.011,16]octadeca-1(17),10(18),11(16)-triene-12,14-dione?
The canonical SMILES for 13,15-dimethyl-13,15,17-triazatricyclo[8.7.1.011,16]octadeca-1(17),10(18),11(16)-triene-12,14-dione is Cn1c(=O)c2c3cc(nc2n(C)c1=O)CCCCCCCC3.
What is the InChIKey of 13,15-dimethyl-13,15,17-triazatricyclo[8.7.1.011,16]octadeca-1(17),10(18),11(16)-triene-12,14-dione?
The InChIKey is DBVCYJMBPQCVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19-15-14(16(21)20(2)17(19)22)12-9-7-5-3-4-6-8-10-13(11-12)18-15/h11H,3-10H2,1-2H3.
What are the key properties of 13,15-dimethyl-13,15,17-triazatricyclo[8.7.1.011,16]octadeca-1(17),10(18),11(16)-triene-12,14-dione?
13,15-dimethyl-13,15,17-triazatricyclo[8.7.1.011,16]octadeca-1(17),10(18),11(16)-triene-12,14-dione has a molecular weight of 301.39 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13,15-dimethyl-13,15,17-triazatricyclo[8.7.1.011,16]octadeca-1(17),10(18),11(16)-triene-12,14-dione is sourced from PubChem (CID 15882302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).