[11-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-4-yl]methanol

C12H16N2O4 — CID 163114211

IUPAC[11-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-4-yl]methanol
SMILESOCC1OCCc2nc3c(nc21)CCOC3CO
InChIInChI=1S/C12H16N2O4/c15-5-9-11-7(1-3-17-9)13-12-8(14-11)2-4-18-10(12)6-16/h9-10,15-16H,1-6H2
InChIKeyUXSYCNAZQLKANQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.31
Rot. Bonds2

About [11-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-4-yl]methanol

[11-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-4-yl]methanol (PubChem CID 163114211) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is [11-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-4-yl]methanol.

Molecular Properties

Compound Name[11-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-4-yl]methanol
PubChem CID163114211
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name[11-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-4-yl]methanol
SMILESOCC1OCCc2nc3c(nc21)CCOC3CO
InChIInChI=1S/C12H16N2O4/c15-5-9-11-7(1-3-17-9)13-12-8(14-11)2-4-18-10(12)6-16/h9-10,15-16H,1-6H2
InChIKeyUXSYCNAZQLKANQ-UHFFFAOYSA-N
XLogP-0.31
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [11-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Palythazine
CID 74051551
[(6S,13S)-13-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-6-yl]methanol
CID 23425590
[(6S,12S)-12-(hydroxymethyl)-5,13-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-6-yl]methanol
CID 23425591
2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine
CID 135029947
[14-(Hydroxymethyl)-5,13-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1(10),2,8-trien-6-yl]methanol
CID 163113306
[(4R,11R)-11-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-4-yl]methanol
CID 163114212
[11-(Hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1(10),2,8-trien-6-yl]methanol
CID 163114504
[12-(Hydroxymethyl)-5,13-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-6-yl]methanol
CID 74051552
2,5-Bis(1,4-dioxan-2-yl)-3,6-dimethylpyrazine
CID 156770958
5,12-Dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1(10),2,8-triene
CID 12298562

Frequently Asked Questions

What is the IUPAC name of [11-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-4-yl]methanol?
The IUPAC name of [11-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-4-yl]methanol (CID 163114211) is [11-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-4-yl]methanol.
What is the SMILES notation for [11-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-4-yl]methanol?
The canonical SMILES for [11-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-4-yl]methanol is OCC1OCCc2nc3c(nc21)CCOC3CO.
What is the InChIKey of [11-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-4-yl]methanol?
The InChIKey is UXSYCNAZQLKANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-5-9-11-7(1-3-17-9)13-12-8(14-11)2-4-18-10(12)6-16/h9-10,15-16H,1-6H2.
What are the key properties of [11-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-4-yl]methanol?
[11-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-4-yl]methanol has a molecular weight of 252.27 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [11-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-4-yl]methanol is sourced from PubChem (CID 163114211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).