(1R,8S)-9-oxa-3,6,10-triazatricyclo[6.2.1.02,6]undeca-2,4-diene

C7H9N3O — CID 101185249

IUPAC(1R,8S)-9-oxa-3,6,10-triazatricyclo[6.2.1.02,6]undeca-2,4-diene
SMILESc1cn2c(n1)[C@H]1C[C@@H](C2)ON1
InChIInChI=1S/C7H9N3O/c1-2-10-4-5-3-6(9-11-5)7(10)8-1/h1-2,5-6,9H,3-4H2/t5-,6+/m0/s1
InChIKeyDNAUYNJYDKMZFB-NTSWFWBYSA-N
MW151.17 g/mol
LogP0.23
Rot. Bonds

About (1R,8S)-9-oxa-3,6,10-triazatricyclo[6.2.1.02,6]undeca-2,4-diene

(1R,8S)-9-oxa-3,6,10-triazatricyclo[6.2.1.02,6]undeca-2,4-diene (PubChem CID 101185249) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is (1R,8S)-9-oxa-3,6,10-triazatricyclo[6.2.1.02,6]undeca-2,4-diene.

Molecular Properties

Compound Name(1R,8S)-9-oxa-3,6,10-triazatricyclo[6.2.1.02,6]undeca-2,4-diene
PubChem CID101185249
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name(1R,8S)-9-oxa-3,6,10-triazatricyclo[6.2.1.02,6]undeca-2,4-diene
SMILESc1cn2c(n1)[C@H]1C[C@@H](C2)ON1
InChIInChI=1S/C7H9N3O/c1-2-10-4-5-3-6(9-11-5)7(10)8-1/h1-2,5-6,9H,3-4H2/t5-,6+/m0/s1
InChIKeyDNAUYNJYDKMZFB-NTSWFWBYSA-N
XLogP0.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,8S)-9-oxa-3,6,10-triazatricyclo[6.2.1.02,6]undeca-2,4-diene with MolForge

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Related Compounds

(6R,7S)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol
CID 170903146
[(6S,7R)-7-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]methanol
CID 101185255
(6S,8R)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
CID 125426404
(6R,8R)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
CID 125426405
(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol
CID 92977143
(6S)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol
CID 119082626
(6R,8S)-8-(benzylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol
CID 101185252
tert-butyl (1S,8R)-3,6,9-triazatricyclo[6.1.1.02,6]deca-2,4-diene-9-carboxylate
CID 176675535
6-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 123331763
(7R)-7-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 166913087
(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol
CID 10855545
6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 10441661

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-9-oxa-3,6,10-triazatricyclo[6.2.1.02,6]undeca-2,4-diene?
The IUPAC name of (1R,8S)-9-oxa-3,6,10-triazatricyclo[6.2.1.02,6]undeca-2,4-diene (CID 101185249) is (1R,8S)-9-oxa-3,6,10-triazatricyclo[6.2.1.02,6]undeca-2,4-diene.
What is the SMILES notation for (1R,8S)-9-oxa-3,6,10-triazatricyclo[6.2.1.02,6]undeca-2,4-diene?
The canonical SMILES for (1R,8S)-9-oxa-3,6,10-triazatricyclo[6.2.1.02,6]undeca-2,4-diene is c1cn2c(n1)[C@H]1C[C@@H](C2)ON1.
What is the InChIKey of (1R,8S)-9-oxa-3,6,10-triazatricyclo[6.2.1.02,6]undeca-2,4-diene?
The InChIKey is DNAUYNJYDKMZFB-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-10-4-5-3-6(9-11-5)7(10)8-1/h1-2,5-6,9H,3-4H2/t5-,6+/m0/s1.
What are the key properties of (1R,8S)-9-oxa-3,6,10-triazatricyclo[6.2.1.02,6]undeca-2,4-diene?
(1R,8S)-9-oxa-3,6,10-triazatricyclo[6.2.1.02,6]undeca-2,4-diene has a molecular weight of 151.17 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-9-oxa-3,6,10-triazatricyclo[6.2.1.02,6]undeca-2,4-diene is sourced from PubChem (CID 101185249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).