14-methyl-1,5,9,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene

C13H17N5 — CID 137012230

IUPAC14-methyl-1,5,9,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene
SMILESCc1ccc2c3n(nc2n1)C1CCNCC1CN3
InChIInChI=1S/C13H17N5/c1-8-2-3-10-12(16-8)17-18-11-4-5-14-6-9(11)7-15-13(10)18/h2-3,9,11,14-15H,4-7H2,1H3
InChIKeyPLRRYTDNWSCLRP-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.32
Rot. Bonds

About 14-methyl-1,5,9,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene

14-methyl-1,5,9,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene (PubChem CID 137012230) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 14-methyl-1,5,9,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene.

Molecular Properties

Compound Name14-methyl-1,5,9,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene
PubChem CID137012230
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name14-methyl-1,5,9,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene
SMILESCc1ccc2c3n(nc2n1)C1CCNCC1CN3
InChIInChI=1S/C13H17N5/c1-8-2-3-10-12(16-8)17-18-11-4-5-14-6-9(11)7-15-13(10)18/h2-3,9,11,14-15H,4-7H2,1H3
InChIKeyPLRRYTDNWSCLRP-UHFFFAOYSA-N
XLogP1.32
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-1,5,9,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene?
The IUPAC name of 14-methyl-1,5,9,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene (CID 137012230) is 14-methyl-1,5,9,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene.
What is the SMILES notation for 14-methyl-1,5,9,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene?
The canonical SMILES for 14-methyl-1,5,9,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene is Cc1ccc2c3n(nc2n1)C1CCNCC1CN3.
What is the InChIKey of 14-methyl-1,5,9,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene?
The InChIKey is PLRRYTDNWSCLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-8-2-3-10-12(16-8)17-18-11-4-5-14-6-9(11)7-15-13(10)18/h2-3,9,11,14-15H,4-7H2,1H3.
What are the key properties of 14-methyl-1,5,9,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene?
14-methyl-1,5,9,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene has a molecular weight of 243.31 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-1,5,9,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene is sourced from PubChem (CID 137012230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).