15-methyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene

C13H16N4O — CID 155350471

IUPAC15-methyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene
SMILESCN1CCc2nn3c(c2C1)-c1nocc1CCC3
InChIInChI=1S/C13H16N4O/c1-16-6-4-11-10(7-16)13-12-9(8-18-15-12)3-2-5-17(13)14-11/h8H,2-7H2,1H3
InChIKeyYHXGLBVVIQKMPJ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.47
Rot. Bonds

About 15-methyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene

15-methyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene (PubChem CID 155350471) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 15-methyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene.

Molecular Properties

Compound Name15-methyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene
PubChem CID155350471
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name15-methyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene
SMILESCN1CCc2nn3c(c2C1)-c1nocc1CCC3
InChIInChI=1S/C13H16N4O/c1-16-6-4-11-10(7-16)13-12-9(8-18-15-12)3-2-5-17(13)14-11/h8H,2-7H2,1H3
InChIKeyYHXGLBVVIQKMPJ-UHFFFAOYSA-N
XLogP1.47
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene?
The IUPAC name of 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) is 15-methyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene.
What is the SMILES notation for 15-methyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene?
The canonical SMILES for 15-methyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene is CN1CCc2nn3c(c2C1)-c1nocc1CCC3.
What is the InChIKey of 15-methyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene?
The InChIKey is YHXGLBVVIQKMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16-6-4-11-10(7-16)13-12-9(8-18-15-12)3-2-5-17(13)14-11/h8H,2-7H2,1H3.
What are the key properties of 15-methyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene?
15-methyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene has a molecular weight of 244.30 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene is sourced from PubChem (CID 155350471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).