3-hydroxy-4-imidazol-1-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene

C15H14N4O — CID 22934143

IUPAC3-hydroxy-4-imidazol-1-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene
SMILESOn1c(-n2ccnc2)nc2c1-c1ccccc1CCC2
InChIInChI=1S/C15H14N4O/c20-19-14-12-6-2-1-4-11(12)5-3-7-13(14)17-15(19)18-9-8-16-10-18/h1-2,4,6,8-10,20H,3,5,7H2
InChIKeyMMUSDIHIXNYIRO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.46
Rot. Bonds1

About 3-hydroxy-4-imidazol-1-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene

3-hydroxy-4-imidazol-1-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene (PubChem CID 22934143) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-hydroxy-4-imidazol-1-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene.

Molecular Properties

Compound Name3-hydroxy-4-imidazol-1-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene
PubChem CID22934143
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-hydroxy-4-imidazol-1-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene
SMILESOn1c(-n2ccnc2)nc2c1-c1ccccc1CCC2
InChIInChI=1S/C15H14N4O/c20-19-14-12-6-2-1-4-11(12)5-3-7-13(14)17-15(19)18-9-8-16-10-18/h1-2,4,6,8-10,20H,3,5,7H2
InChIKeyMMUSDIHIXNYIRO-UHFFFAOYSA-N
XLogP2.46
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 112709300
2-azapentacyclo[13.9.0.03,13.04,9.019,24]tetracosa-1,3(13),4,6,8,14,19,21,23-nonaene
CID 162691751
N'-hydroxy-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916670
3-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine
CID 6539762
2-(2-imidazol-1-ylphenyl)quinoline
CID 67206149
N-(4-imidazol-1-ylphenyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 37189410
2-imidazol-1-ylquinoline
CID 24766159
5-thia-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene
CID 12569244
6-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 83821442
1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole
CID 62869182
1-(2-naphthalen-2-ylphenyl)imidazole
CID 90911768
2-imidazol-1-ylquinazoline-4-carboxamide
CID 172628387

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-imidazol-1-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene?
The IUPAC name of 3-hydroxy-4-imidazol-1-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene (CID 22934143) is 3-hydroxy-4-imidazol-1-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene.
What is the SMILES notation for 3-hydroxy-4-imidazol-1-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene?
The canonical SMILES for 3-hydroxy-4-imidazol-1-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene is On1c(-n2ccnc2)nc2c1-c1ccccc1CCC2.
What is the InChIKey of 3-hydroxy-4-imidazol-1-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene?
The InChIKey is MMUSDIHIXNYIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-19-14-12-6-2-1-4-11(12)5-3-7-13(14)17-15(19)18-9-8-16-10-18/h1-2,4,6,8-10,20H,3,5,7H2.
What are the key properties of 3-hydroxy-4-imidazol-1-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene?
3-hydroxy-4-imidazol-1-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene has a molecular weight of 266.30 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-imidazol-1-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene is sourced from PubChem (CID 22934143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).