5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene

C13H17N5 — CID 155350244

IUPAC5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene
SMILESCn1cnc2c1CCCn1nc3c(c1-2)CNCC3
InChIInChI=1S/C13H17N5/c1-17-8-15-12-11(17)3-2-6-18-13(12)9-7-14-5-4-10(9)16-18/h8,14H,2-7H2,1H3
InChIKeyUCRPBXSKKWFKCY-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.88
Rot. Bonds

About 5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene

5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene (PubChem CID 155350244) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene.

Molecular Properties

Compound Name5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene
PubChem CID155350244
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene
SMILESCn1cnc2c1CCCn1nc3c(c1-2)CNCC3
InChIInChI=1S/C13H17N5/c1-17-8-15-12-11(17)3-2-6-18-13(12)9-7-14-5-4-10(9)16-18/h8,14H,2-7H2,1H3
InChIKeyUCRPBXSKKWFKCY-UHFFFAOYSA-N
XLogP0.88
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene 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

ethane;methanol;5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene-15-carbaldehyde
CID 155731967
14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
CID 155352887
13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium
CID 167683847
3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine
CID 58398166
13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
CID 155366696
4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
CID 175767396
3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82289154
1-(trideuteriomethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 171036994
13-methyl-11-methylidene-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
CID 146625494
15-methyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene
CID 155350471
3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one
CID 83872240
N-ethyl-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 84657575

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene?
The IUPAC name of 5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene (CID 155350244) is 5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene.
What is the SMILES notation for 5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene?
The canonical SMILES for 5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene is Cn1cnc2c1CCCn1nc3c(c1-2)CNCC3.
What is the InChIKey of 5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene?
The InChIKey is UCRPBXSKKWFKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-17-8-15-12-11(17)3-2-6-18-13(12)9-7-14-5-4-10(9)16-18/h8,14H,2-7H2,1H3.
What are the key properties of 5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene?
5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene has a molecular weight of 243.31 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene is sourced from PubChem (CID 155350244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).