1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)cyclohexa-1,3-dien-1-ol;7-(trifluoromethyl)-1H-quinolin-4-one

C86H76F3N16No2O14- — CID 158723844

About 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)cyclohexa-1,3-dien-1-ol;7-(trifluoromethyl)-1H-quinolin-4-one

1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)cyclohexa-1,3-dien-1-ol;7-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 158723844) has the molecular formula C86H76F3N16No2O14- and a molecular weight of 2132.65 g/mol. Its IUPAC name is 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)cyclohexa-1,3-dien-1-ol;7-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

• Compound Name: 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)cyclohexa-1,3-dien-1-ol;7-(trifluoromethyl)-1H-quinolin-4-one
• PubChem CID: 158723844
• Molecular Formula: C86H76F3N16No2O14-
• Molecular Weight: 2132.65 g/mol
• Exact Mass: 2131.77
• IUPAC Name: 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)cyclohexa-1,3-dien-1-ol;7-(trifluoromethyl)-1H-quinolin-4-one
• SMILES: CC(=O)Nc1cc[nH]c(=O)c1.NC(=O)c1ncccc1O.O=c1[nH]cnc2ccccc12.O=c1[nH]cnc2nccnc12.O=c1cc[nH]c2cc(C(F)(F)F)ccc12.OC1=CC=C(n2cncn2)CC1.Oc1[c-]cccc1.Oc1ccc2c3c1CCCN3CCC2.Oc1cccc2c(O)cccc12.Oc1ccccc1-c1nc2ccccc2o1.[No].[No]
• InChI: InChI=1S/C13H9NO2.C12H15NO.C10H6F3NO.C10H8O2.C8H9N3O.C8H6N2O.C7H8N2O2.C6H4N4O.C6H6N2O2.C6H5O.2No/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13;11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15;11-9-5-1-3-7-8(9)4-2-6-10(7)12;12-8-3-1-7(2-4-8)11-6-9-5-10-11;11-8-6-3-1-2-4-7(6)9-5-10-8;1-5(10)9-6-2-3-8-7(11)4-6;11-6-4-5(9-3-10-6)8-2-1-7-4;7-6(10)5-4(9)2-1-3-8-5;7-6-4-2-1-3-5-6;;/h1-8,15H;5-6,14H,1-4,7-8H2;1-5H,(H,14,15);1-6,11-12H;1,3,5-6,12H,2,4H2;1-5H,(H,9,10,11);2-4H,1H3,(H2,8,9,10,11);1-3H,(H,8,9,10,11);1-3,9H,(H2,7,10);1-4,7H;;/q;;;;;;;;;-1
• InChIKey: YHIPALXUDGXIJA-UHFFFAOYSA-N
• XLogP: 13.49
• TPSA: 469.67 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 24
• Rotatable Bonds: 4
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2132.65
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)cyclohexa-1,3-dien-1-ol;7-(trifluoromethyl)-1H-quinolin-4-one?

The IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)cyclohexa-1,3-dien-1-ol;7-(trifluoromethyl)-1H-quinolin-4-one (CID 158723844) is 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)cyclohexa-1,3-dien-1-ol;7-(trifluoromethyl)-1H-quinolin-4-one.

What is the SMILES notation for 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)cyclohexa-1,3-dien-1-ol;7-(trifluoromethyl)-1H-quinolin-4-one?

The canonical SMILES for 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)cyclohexa-1,3-dien-1-ol;7-(trifluoromethyl)-1H-quinolin-4-one is CC(=O)Nc1cc[nH]c(=O)c1.NC(=O)c1ncccc1O.O=c1[nH]cnc2ccccc12.O=c1[nH]cnc2nccnc12.O=c1cc[nH]c2cc(C(F)(F)F)ccc12.OC1=CC=C(n2cncn2)CC1.Oc1[c-]cccc1.Oc1ccc2c3c1CCCN3CCC2.Oc1cccc2c(O)cccc12.Oc1ccccc1-c1nc2ccccc2o1.[No].[No].

What is the InChIKey of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)cyclohexa-1,3-dien-1-ol;7-(trifluoromethyl)-1H-quinolin-4-one?

The InChIKey is YHIPALXUDGXIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2.C12H15NO.C10H6F3NO.C10H8O2.C8H9N3O.C8H6N2O.C7H8N2O2.C6H4N4O.C6H6N2O2.C6H5O.2No/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13;11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15;11-9-5-1-3-7-8(9)4-2-6-10(7)12;12-8-3-1-7(2-4-8)11-6-9-5-10-11;11-8-6-3-1-2-4-7(6)9-5-10-8;1-5(10)9-6-2-3-8-7(11)4-6;11-6-4-5(9-3-10-6)8-2-1-7-4;7-6(10)5-4(9)2-1-3-8-5;7-6-4-2-1-3-5-6;;/h1-8,15H;5-6,14H,1-4,7-8H2;1-5H,(H,14,15);1-6,11-12H;1,3,5-6,12H,2,4H2;1-5H,(H,9,10,11);2-4H,1H3,(H2,8,9,10,11);1-3H,(H,8,9,10,11);1-3,9H,(H2,7,10);1-4,7H;;/q;;;;;;;;;-1;;.

What are the key properties of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)cyclohexa-1,3-dien-1-ol;7-(trifluoromethyl)-1H-quinolin-4-one?

1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)cyclohexa-1,3-dien-1-ol;7-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 2132.65 g/mol, XLogP of 13.49, 4 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)cyclohexa-1,3-dien-1-ol;7-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 158723844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).