(10S)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5,11-tetraene

C10H11N3O — CID 175963273

IUPAC(10S)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5,11-tetraene
SMILESC1=NCCN2c3cccnc3OC[C@H]12
InChIInChI=1S/C10H11N3O/c1-2-9-10(12-3-1)14-7-8-6-11-4-5-13(8)9/h1-3,6,8H,4-5,7H2/t8-/m0/s1
InChIKeyPQUVXVOCYPVZLX-QMMMGPOBSA-N
MW189.22 g/mol
LogP0.73
Rot. Bonds

About (10S)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5,11-tetraene

(10S)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5,11-tetraene (PubChem CID 175963273) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (10S)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5,11-tetraene.

Molecular Properties

Compound Name(10S)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5,11-tetraene
PubChem CID175963273
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(10S)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5,11-tetraene
SMILESC1=NCCN2c3cccnc3OC[C@H]12
InChIInChI=1S/C10H11N3O/c1-2-9-10(12-3-1)14-7-8-6-11-4-5-13(8)9/h1-3,6,8H,4-5,7H2/t8-/m0/s1
InChIKeyPQUVXVOCYPVZLX-QMMMGPOBSA-N
XLogP0.73
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (10S)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5,11-tetraene?
The IUPAC name of (10S)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5,11-tetraene (CID 175963273) is (10S)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5,11-tetraene.
What is the SMILES notation for (10S)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5,11-tetraene?
The canonical SMILES for (10S)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5,11-tetraene is C1=NCCN2c3cccnc3OC[C@H]12.
What is the InChIKey of (10S)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5,11-tetraene?
The InChIKey is PQUVXVOCYPVZLX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-9-10(12-3-1)14-7-8-6-11-4-5-13(8)9/h1-3,6,8H,4-5,7H2/t8-/m0/s1.
What are the key properties of (10S)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5,11-tetraene?
(10S)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5,11-tetraene has a molecular weight of 189.22 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5,11-tetraene is sourced from PubChem (CID 175963273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).