(5R)-5-hydroxy-4,9,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7(12),8,10,15,17,19-octaen-3-one

C17H11N3O2 — CID 129409015

IUPAC(5R)-5-hydroxy-4,9,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7(12),8,10,15,17,19-octaen-3-one
SMILESO=C1N[C@H](O)c2c1c1c3ccccc3[nH]c1c1ccncc21
InChIInChI=1S/C17H11N3O2/c21-16-13-10-7-18-6-5-8(10)15-12(14(13)17(22)20-16)9-3-1-2-4-11(9)19-15/h1-7,16,19,21H,(H,20,22)/t16-/m1/s1
InChIKeyOYVIWHLFENZKFU-MRXNPFEDSA-N
MW289.29 g/mol
LogP2.60
Rot. Bonds

About (5R)-5-hydroxy-4,9,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7(12),8,10,15,17,19-octaen-3-one

(5R)-5-hydroxy-4,9,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7(12),8,10,15,17,19-octaen-3-one (PubChem CID 129409015) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is (5R)-5-hydroxy-4,9,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7(12),8,10,15,17,19-octaen-3-one.

Molecular Properties

Compound Name(5R)-5-hydroxy-4,9,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7(12),8,10,15,17,19-octaen-3-one
PubChem CID129409015
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name(5R)-5-hydroxy-4,9,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7(12),8,10,15,17,19-octaen-3-one
SMILESO=C1N[C@H](O)c2c1c1c3ccccc3[nH]c1c1ccncc21
InChIInChI=1S/C17H11N3O2/c21-16-13-10-7-18-6-5-8(10)15-12(14(13)17(22)20-16)9-3-1-2-4-11(9)19-15/h1-7,16,19,21H,(H,20,22)/t16-/m1/s1
InChIKeyOYVIWHLFENZKFU-MRXNPFEDSA-N
XLogP2.60
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (5R)-5-hydroxy-4,9,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7(12),8,10,15,17,19-octaen-3-one with MolForge

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Related Compounds

4-ethenyl-8-hydroxy-5-[(Z)-prop-1-enyl]-3,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaen-10-one;methane;methanethiol
CID 142044354
azane;5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 118981774
9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one
CID 136901805
6-chloro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione;cyclopentane-1,2-diol
CID 142254288
ethane;5H-pyrido[4,3-b]indole
CID 176987523
4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione
CID 24763829
3,12,14,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-13-one
CID 10638837
23-methyl-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 67550909
6,11-diphenyl-5H-benzo[b]carbazole
CID 10785338
6-hydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 11782794
14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,12,15,17,19,21-decaene-12-carboxylic acid
CID 16750098
6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione
CID 51038700

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-4,9,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7(12),8,10,15,17,19-octaen-3-one?
The IUPAC name of (5R)-5-hydroxy-4,9,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7(12),8,10,15,17,19-octaen-3-one (CID 129409015) is (5R)-5-hydroxy-4,9,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7(12),8,10,15,17,19-octaen-3-one.
What is the SMILES notation for (5R)-5-hydroxy-4,9,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7(12),8,10,15,17,19-octaen-3-one?
The canonical SMILES for (5R)-5-hydroxy-4,9,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7(12),8,10,15,17,19-octaen-3-one is O=C1N[C@H](O)c2c1c1c3ccccc3[nH]c1c1ccncc21.
What is the InChIKey of (5R)-5-hydroxy-4,9,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7(12),8,10,15,17,19-octaen-3-one?
The InChIKey is OYVIWHLFENZKFU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-16-13-10-7-18-6-5-8(10)15-12(14(13)17(22)20-16)9-3-1-2-4-11(9)19-15/h1-7,16,19,21H,(H,20,22)/t16-/m1/s1.
What are the key properties of (5R)-5-hydroxy-4,9,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7(12),8,10,15,17,19-octaen-3-one?
(5R)-5-hydroxy-4,9,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7(12),8,10,15,17,19-octaen-3-one has a molecular weight of 289.29 g/mol, XLogP of 2.60, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-4,9,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7(12),8,10,15,17,19-octaen-3-one is sourced from PubChem (CID 129409015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).