5,15-dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene

C14H13N5 — CID 46882233

IUPAC5,15-dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESCc1ccc2c(c1)-c1ncnn1Cc1c(C)ncn1-2
InChIInChI=1S/C14H13N5/c1-9-3-4-12-11(5-9)14-15-7-17-19(14)6-13-10(2)16-8-18(12)13/h3-5,7-8H,6H2,1-2H3
InChIKeyINPSWSQUPKQGLM-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.11
Rot. Bonds

About 5,15-dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene

5,15-dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (PubChem CID 46882233) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5,15-dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene.

Molecular Properties

Compound Name5,15-dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
PubChem CID46882233
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name5,15-dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESCc1ccc2c(c1)-c1ncnn1Cc1c(C)ncn1-2
InChIInChI=1S/C14H13N5/c1-9-3-4-12-11(5-9)14-15-7-17-19(14)6-13-10(2)16-8-18(12)13/h3-5,7-8H,6H2,1-2H3
InChIKeyINPSWSQUPKQGLM-UHFFFAOYSA-N
XLogP2.11
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,15-dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,15-dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The IUPAC name of 5,15-dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (CID 46882233) is 5,15-dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene.
What is the SMILES notation for 5,15-dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The canonical SMILES for 5,15-dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is Cc1ccc2c(c1)-c1ncnn1Cc1c(C)ncn1-2.
What is the InChIKey of 5,15-dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The InChIKey is INPSWSQUPKQGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-9-3-4-12-11(5-9)14-15-7-17-19(14)6-13-10(2)16-8-18(12)13/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 5,15-dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
5,15-dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene has a molecular weight of 251.29 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is sourced from PubChem (CID 46882233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).