17-methyl-5,7-dioxa-12,13,14-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,13,15,17-heptaene

C15H11N3O2 — CID 71658546

IUPAC17-methyl-5,7-dioxa-12,13,14-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,13,15,17-heptaene
SMILESCc1cc2c3c(c1)nnn3Cc1cc3c(cc1-2)OCO3
InChIInChI=1S/C15H11N3O2/c1-8-2-11-10-5-14-13(19-7-20-14)4-9(10)6-18-15(11)12(3-8)16-17-18/h2-5H,6-7H2,1H3
InChIKeyMBWVTWLOTLFXHY-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.50
Rot. Bonds

About 17-methyl-5,7-dioxa-12,13,14-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,13,15,17-heptaene

17-methyl-5,7-dioxa-12,13,14-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,13,15,17-heptaene (PubChem CID 71658546) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 17-methyl-5,7-dioxa-12,13,14-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,13,15,17-heptaene.

Molecular Properties

Compound Name17-methyl-5,7-dioxa-12,13,14-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,13,15,17-heptaene
PubChem CID71658546
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name17-methyl-5,7-dioxa-12,13,14-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,13,15,17-heptaene
SMILESCc1cc2c3c(c1)nnn3Cc1cc3c(cc1-2)OCO3
InChIInChI=1S/C15H11N3O2/c1-8-2-11-10-5-14-13(19-7-20-14)4-9(10)6-18-15(11)12(3-8)16-17-18/h2-5H,6-7H2,1H3
InChIKeyMBWVTWLOTLFXHY-UHFFFAOYSA-N
XLogP2.50
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 17-methyl-5,7-dioxa-12,13,14-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,13,15,17-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-methyl-5,7-dioxa-12,13,14-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,13,15,17-heptaene?
The IUPAC name of 17-methyl-5,7-dioxa-12,13,14-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,13,15,17-heptaene (CID 71658546) is 17-methyl-5,7-dioxa-12,13,14-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,13,15,17-heptaene.
What is the SMILES notation for 17-methyl-5,7-dioxa-12,13,14-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,13,15,17-heptaene?
The canonical SMILES for 17-methyl-5,7-dioxa-12,13,14-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,13,15,17-heptaene is Cc1cc2c3c(c1)nnn3Cc1cc3c(cc1-2)OCO3.
What is the InChIKey of 17-methyl-5,7-dioxa-12,13,14-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,13,15,17-heptaene?
The InChIKey is MBWVTWLOTLFXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-8-2-11-10-5-14-13(19-7-20-14)4-9(10)6-18-15(11)12(3-8)16-17-18/h2-5H,6-7H2,1H3.
What are the key properties of 17-methyl-5,7-dioxa-12,13,14-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,13,15,17-heptaene?
17-methyl-5,7-dioxa-12,13,14-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,13,15,17-heptaene has a molecular weight of 265.27 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-5,7-dioxa-12,13,14-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,13,15,17-heptaene is sourced from PubChem (CID 71658546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).