16-methyl-2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene

C14H10N4 — CID 91456622

IUPAC16-methyl-2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene
SMILESCC1=NC23N=c4ccccc4=NC2=CC=CC3=N1
InChIInChI=1S/C14H10N4/c1-9-15-12-7-4-8-13-14(12,17-9)18-11-6-3-2-5-10(11)16-13/h2-8H,1H3
InChIKeyNMLUMCZSAGJYPO-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.96
Rot. Bonds

About 16-methyl-2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene

16-methyl-2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene (PubChem CID 91456622) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 16-methyl-2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene.

Molecular Properties

Compound Name16-methyl-2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene
PubChem CID91456622
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name16-methyl-2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene
SMILESCC1=NC23N=c4ccccc4=NC2=CC=CC3=N1
InChIInChI=1S/C14H10N4/c1-9-15-12-7-4-8-13-14(12,17-9)18-11-6-3-2-5-10(11)16-13/h2-8H,1H3
InChIKeyNMLUMCZSAGJYPO-UHFFFAOYSA-N
XLogP0.96
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-methyl-2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene with MolForge

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1H-indolo[2,3-b]quinoxaline
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Frequently Asked Questions

What is the IUPAC name of 16-methyl-2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene?
The IUPAC name of 16-methyl-2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene (CID 91456622) is 16-methyl-2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene.
What is the SMILES notation for 16-methyl-2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene?
The canonical SMILES for 16-methyl-2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene is CC1=NC23N=c4ccccc4=NC2=CC=CC3=N1.
What is the InChIKey of 16-methyl-2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene?
The InChIKey is NMLUMCZSAGJYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-9-15-12-7-4-8-13-14(12,17-9)18-11-6-3-2-5-10(11)16-13/h2-8H,1H3.
What are the key properties of 16-methyl-2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene?
16-methyl-2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene has a molecular weight of 234.26 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene is sourced from PubChem (CID 91456622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).