9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1,3,5,9,11,13(17),15-heptaene

C15H13N3 — CID 90761597

IUPAC9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1,3,5,9,11,13(17),15-heptaene
SMILESCC1=c2cnc3[nH]ccc(c2=3)=C2C=CC=CC2N1
InChIInChI=1S/C15H13N3/c1-9-12-8-17-15-14(12)11(6-7-16-15)10-4-2-3-5-13(10)18-9/h2-8,13,16,18H,1H3
InChIKeyGWCNXMJTZCCOFA-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.51
Rot. Bonds

About 9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1,3,5,9,11,13(17),15-heptaene

9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1,3,5,9,11,13(17),15-heptaene (PubChem CID 90761597) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1,3,5,9,11,13(17),15-heptaene.

Molecular Properties

Compound Name9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1,3,5,9,11,13(17),15-heptaene
PubChem CID90761597
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1,3,5,9,11,13(17),15-heptaene
SMILESCC1=c2cnc3[nH]ccc(c2=3)=C2C=CC=CC2N1
InChIInChI=1S/C15H13N3/c1-9-12-8-17-15-14(12)11(6-7-16-15)10-4-2-3-5-13(10)18-9/h2-8,13,16,18H,1H3
InChIKeyGWCNXMJTZCCOFA-UHFFFAOYSA-N
XLogP0.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1,3,5,9,11,13(17),15-heptaene?
The IUPAC name of 9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1,3,5,9,11,13(17),15-heptaene (CID 90761597) is 9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1,3,5,9,11,13(17),15-heptaene.
What is the SMILES notation for 9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1,3,5,9,11,13(17),15-heptaene?
The canonical SMILES for 9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1,3,5,9,11,13(17),15-heptaene is CC1=c2cnc3[nH]ccc(c2=3)=C2C=CC=CC2N1.
What is the InChIKey of 9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1,3,5,9,11,13(17),15-heptaene?
The InChIKey is GWCNXMJTZCCOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-9-12-8-17-15-14(12)11(6-7-16-15)10-4-2-3-5-13(10)18-9/h2-8,13,16,18H,1H3.
What are the key properties of 9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1,3,5,9,11,13(17),15-heptaene?
9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1,3,5,9,11,13(17),15-heptaene has a molecular weight of 235.29 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1,3,5,9,11,13(17),15-heptaene is sourced from PubChem (CID 90761597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).