(1R,10R,11S,12R,13S)-11,12,13-trimethoxy-9,14-dioxa-3,4,5-triazatricyclo[8.4.0.03,7]tetradeca-4,6-diene

C12H19N3O5 — CID 134838103

IUPAC(1R,10R,11S,12R,13S)-11,12,13-trimethoxy-9,14-dioxa-3,4,5-triazatricyclo[8.4.0.03,7]tetradeca-4,6-diene
SMILESCO[C@H]1O[C@@H]2Cn3nncc3CO[C@H]2[C@H](OC)[C@H]1OC
InChIInChI=1S/C12H19N3O5/c1-16-10-9-8(20-12(18-3)11(10)17-2)5-15-7(6-19-9)4-13-14-15/h4,8-12H,5-6H2,1-3H3/t8-,9-,10+,11-,12+/m1/s1
InChIKeyJNXPKPUZKJHYOX-ZIQFBCGOSA-N
MW285.30 g/mol
LogP-0.42
Rot. Bonds3

About (1R,10R,11S,12R,13S)-11,12,13-trimethoxy-9,14-dioxa-3,4,5-triazatricyclo[8.4.0.03,7]tetradeca-4,6-diene

(1R,10R,11S,12R,13S)-11,12,13-trimethoxy-9,14-dioxa-3,4,5-triazatricyclo[8.4.0.03,7]tetradeca-4,6-diene (PubChem CID 134838103) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is (1R,10R,11S,12R,13S)-11,12,13-trimethoxy-9,14-dioxa-3,4,5-triazatricyclo[8.4.0.03,7]tetradeca-4,6-diene.

Molecular Properties

Compound Name(1R,10R,11S,12R,13S)-11,12,13-trimethoxy-9,14-dioxa-3,4,5-triazatricyclo[8.4.0.03,7]tetradeca-4,6-diene
PubChem CID134838103
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name(1R,10R,11S,12R,13S)-11,12,13-trimethoxy-9,14-dioxa-3,4,5-triazatricyclo[8.4.0.03,7]tetradeca-4,6-diene
SMILESCO[C@H]1O[C@@H]2Cn3nncc3CO[C@H]2[C@H](OC)[C@H]1OC
InChIInChI=1S/C12H19N3O5/c1-16-10-9-8(20-12(18-3)11(10)17-2)5-15-7(6-19-9)4-13-14-15/h4,8-12H,5-6H2,1-3H3/t8-,9-,10+,11-,12+/m1/s1
InChIKeyJNXPKPUZKJHYOX-ZIQFBCGOSA-N
XLogP-0.42
TPSA76.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1R,10R,11S,12R,13S)-11,12,13-trimethoxy-9,14-dioxa-3,4,5-triazatricyclo[8.4.0.03,7]tetradeca-4,6-diene with MolForge

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Related Compounds

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CID 134858120
[(3R,5R,6R,7S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-4,8-dioxa-1,12,13-triazatricyclo[8.3.0.03,7]trideca-10,12-dien-6-yl] acetate
CID 24796585
6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 75528254
6-[2-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethoxy)ethoxymethyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 132522881
(4aR,6R,7R,8S,8aS)-6,7,8-trimethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 11514180
(2R,4aR,6S,7R,8R,8aR)-2,6,7,8-tetramethoxy-3-methyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3,2]oxazaphosphinine 2-oxide
CID 23413490
6-[[4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 162407973
4-amino-1-[(3R,5R,7S)-4,8-dioxa-1,12,13-triazatricyclo[8.3.0.03,7]trideca-10,12-dien-5-yl]-5-methylpyrimidin-2-one
CID 57413917
(2S,4aR,6R,7R,8S,8aS)-6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 92843937
(2R,6R)-4-[(4-methoxyphenyl)methyl]-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 59587962
(2S,6S)-4-[(4-methoxyphenyl)methyl]-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 44594006
1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 118739128

Frequently Asked Questions

What is the IUPAC name of (1R,10R,11S,12R,13S)-11,12,13-trimethoxy-9,14-dioxa-3,4,5-triazatricyclo[8.4.0.03,7]tetradeca-4,6-diene?
The IUPAC name of (1R,10R,11S,12R,13S)-11,12,13-trimethoxy-9,14-dioxa-3,4,5-triazatricyclo[8.4.0.03,7]tetradeca-4,6-diene (CID 134838103) is (1R,10R,11S,12R,13S)-11,12,13-trimethoxy-9,14-dioxa-3,4,5-triazatricyclo[8.4.0.03,7]tetradeca-4,6-diene.
What is the SMILES notation for (1R,10R,11S,12R,13S)-11,12,13-trimethoxy-9,14-dioxa-3,4,5-triazatricyclo[8.4.0.03,7]tetradeca-4,6-diene?
The canonical SMILES for (1R,10R,11S,12R,13S)-11,12,13-trimethoxy-9,14-dioxa-3,4,5-triazatricyclo[8.4.0.03,7]tetradeca-4,6-diene is CO[C@H]1O[C@@H]2Cn3nncc3CO[C@H]2[C@H](OC)[C@H]1OC.
What is the InChIKey of (1R,10R,11S,12R,13S)-11,12,13-trimethoxy-9,14-dioxa-3,4,5-triazatricyclo[8.4.0.03,7]tetradeca-4,6-diene?
The InChIKey is JNXPKPUZKJHYOX-ZIQFBCGOSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-16-10-9-8(20-12(18-3)11(10)17-2)5-15-7(6-19-9)4-13-14-15/h4,8-12H,5-6H2,1-3H3/t8-,9-,10+,11-,12+/m1/s1.
What are the key properties of (1R,10R,11S,12R,13S)-11,12,13-trimethoxy-9,14-dioxa-3,4,5-triazatricyclo[8.4.0.03,7]tetradeca-4,6-diene?
(1R,10R,11S,12R,13S)-11,12,13-trimethoxy-9,14-dioxa-3,4,5-triazatricyclo[8.4.0.03,7]tetradeca-4,6-diene has a molecular weight of 285.30 g/mol, XLogP of -0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R,11S,12R,13S)-11,12,13-trimethoxy-9,14-dioxa-3,4,5-triazatricyclo[8.4.0.03,7]tetradeca-4,6-diene is sourced from PubChem (CID 134838103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).