3-(6,8,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-7-yl)phenol

C12H11N3O — CID 167930901

IUPAC3-(6,8,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-7-yl)phenol
SMILESOc1cccc(-c2nnc3n2CC2CC32)c1
InChIInChI=1S/C12H11N3O/c16-9-3-1-2-7(4-9)11-13-14-12-10-5-8(10)6-15(11)12/h1-4,8,10,16H,5-6H2
InChIKeyNPWHRCXCNOQKKS-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.77
Rot. Bonds1

About 3-(6,8,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-7-yl)phenol

3-(6,8,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-7-yl)phenol (PubChem CID 167930901) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(6,8,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-7-yl)phenol.

Molecular Properties

Compound Name3-(6,8,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-7-yl)phenol
PubChem CID167930901
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3-(6,8,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-7-yl)phenol
SMILESOc1cccc(-c2nnc3n2CC2CC32)c1
InChIInChI=1S/C12H11N3O/c16-9-3-1-2-7(4-9)11-13-14-12-10-5-8(10)6-15(11)12/h1-4,8,10,16H,5-6H2
InChIKeyNPWHRCXCNOQKKS-UHFFFAOYSA-N
XLogP1.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 105392004
6-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965923
3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117151730
3-(3-hydroxyphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 84737927
3-(5-chloroimidazo[1,5-a]pyridin-3-yl)phenol
CID 117142200
3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
CID 71308104
methyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249953
1-bromo-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117249297
3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol
CID 117249982
(9S)-3-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine
CID 59040894
3-methylphenol
CID 67925627
3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
CID 14911479

Frequently Asked Questions

What is the IUPAC name of 3-(6,8,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-7-yl)phenol?
The IUPAC name of 3-(6,8,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-7-yl)phenol (CID 167930901) is 3-(6,8,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-7-yl)phenol.
What is the SMILES notation for 3-(6,8,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-7-yl)phenol?
The canonical SMILES for 3-(6,8,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-7-yl)phenol is Oc1cccc(-c2nnc3n2CC2CC32)c1.
What is the InChIKey of 3-(6,8,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-7-yl)phenol?
The InChIKey is NPWHRCXCNOQKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c16-9-3-1-2-7(4-9)11-13-14-12-10-5-8(10)6-15(11)12/h1-4,8,10,16H,5-6H2.
What are the key properties of 3-(6,8,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-7-yl)phenol?
3-(6,8,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-7-yl)phenol has a molecular weight of 213.24 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-7-yl)phenol is sourced from PubChem (CID 167930901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).