2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-ylmethanol

C10H8N4O — CID 141273942

IUPAC2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-ylmethanol
SMILESOCc1cnc2c(c1)ncc1nccn12
InChIInChI=1S/C10H8N4O/c15-6-7-3-8-10(13-4-7)14-2-1-11-9(14)5-12-8/h1-5,15H,6H2
InChIKeyAVANGDWZCKGIDX-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.77
Rot. Bonds1

About 2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-ylmethanol

2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-ylmethanol (PubChem CID 141273942) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-ylmethanol.

Molecular Properties

Compound Name2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-ylmethanol
PubChem CID141273942
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-ylmethanol
SMILESOCc1cnc2c(c1)ncc1nccn12
InChIInChI=1S/C10H8N4O/c15-6-7-3-8-10(13-4-7)14-2-1-11-9(14)5-12-8/h1-5,15H,6H2
InChIKeyAVANGDWZCKGIDX-UHFFFAOYSA-N
XLogP0.77
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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imidazo[1,2-a]quinoxaline;hydrochloride
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[3-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)phenyl]methanol
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[3-(8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-3-yl)phenyl]methanol
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imidazo[2,1-b][1,3]benzothiazol-7-ylmethanol
CID 68703711
imidazo[2,1-b][1,3]benzothiazol-6-ylmethanol
CID 22224471
3-amino-2-imidazo[1,2-a]pyridin-5-ylpropan-1-ol
CID 102627018
(4-imidazo[1,2-a]pyrazin-3-ylphenyl)methanol
CID 157019835
(4-imidazo[1,2-a]pyridin-5-yloxy-3-methoxyphenyl)methanol
CID 107743857
[3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 126472649

Frequently Asked Questions

What is the IUPAC name of 2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-ylmethanol?
The IUPAC name of 2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-ylmethanol (CID 141273942) is 2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-ylmethanol.
What is the SMILES notation for 2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-ylmethanol?
The canonical SMILES for 2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-ylmethanol is OCc1cnc2c(c1)ncc1nccn12.
What is the InChIKey of 2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-ylmethanol?
The InChIKey is AVANGDWZCKGIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c15-6-7-3-8-10(13-4-7)14-2-1-11-9(14)5-12-8/h1-5,15H,6H2.
What are the key properties of 2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-ylmethanol?
2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-ylmethanol has a molecular weight of 200.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-ylmethanol is sourced from PubChem (CID 141273942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).