12,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene

C13H17N5O — CID 178104929

IUPAC12,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene
SMILESCc1nc2c3c(nn(C)c3n1)OCC1CCCCN21
InChIInChI=1S/C13H17N5O/c1-8-14-11-10-12(15-8)18-6-4-3-5-9(18)7-19-13(10)16-17(11)2/h9H,3-7H2,1-2H3
InChIKeyRFONOJRSWFGUBQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.42
Rot. Bonds

About 12,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene

12,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene (PubChem CID 178104929) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 12,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene.

Molecular Properties

Compound Name12,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene
PubChem CID178104929
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name12,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene
SMILESCc1nc2c3c(nn(C)c3n1)OCC1CCCCN21
InChIInChI=1S/C13H17N5O/c1-8-14-11-10-12(15-8)18-6-4-3-5-9(18)7-19-13(10)16-17(11)2/h9H,3-7H2,1-2H3
InChIKeyRFONOJRSWFGUBQ-UHFFFAOYSA-N
XLogP1.42
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene?
The IUPAC name of 12,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene (CID 178104929) is 12,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene.
What is the SMILES notation for 12,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene?
The canonical SMILES for 12,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene is Cc1nc2c3c(nn(C)c3n1)OCC1CCCCN21.
What is the InChIKey of 12,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene?
The InChIKey is RFONOJRSWFGUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8-14-11-10-12(15-8)18-6-4-3-5-9(18)7-19-13(10)16-17(11)2/h9H,3-7H2,1-2H3.
What are the key properties of 12,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene?
12,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene has a molecular weight of 259.31 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene is sourced from PubChem (CID 178104929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).