4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol

C17H17N3O2 — CID 158415584

IUPAC4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol
SMILESOC1C2=CCc3nccc(c32)-c2cn(C3CCCCO3)nc21
InChIInChI=1S/C17H17N3O2/c21-17-11-4-5-13-15(11)10(6-7-18-13)12-9-20(19-16(12)17)14-3-1-2-8-22-14/h4,6-7,9,14,17,21H,1-3,5,8H2
InChIKeyMIYVYGXPKVYPFN-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.63
Rot. Bonds1

About 4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol

4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol (PubChem CID 158415584) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol.

Molecular Properties

Compound Name4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol
PubChem CID158415584
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol
SMILESOC1C2=CCc3nccc(c32)-c2cn(C3CCCCO3)nc21
InChIInChI=1S/C17H17N3O2/c21-17-11-4-5-13-15(11)10(6-7-18-13)12-9-20(19-16(12)17)14-3-1-2-8-22-14/h4,6-7,9,14,17,21H,1-3,5,8H2
InChIKeyMIYVYGXPKVYPFN-UHFFFAOYSA-N
XLogP2.63
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol with MolForge

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Related Compounds

8-(1-Methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol, Diastereomer I
CID 121379070
8-(1-Methyl-1H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol, Enantiomer I
CID 121389331
8-(1-Methyl-4,5-dihydro-1H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol, Enantiomer II
CID 121389360
8-(1-Methyl-1H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol, Enantiomer I
CID 121389372
5-(1-Methyl-1H-indazol-6-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-4-ol, Enantiomer II
CID 121389398
8-(2-Methyl-2H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol, Enantiomer II
CID 121389423
1-[3-(4-Fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]-3-phenylpropan-1-ol
CID 21992360
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
CID 67971422
2-(4-Fluorophenyl)-3-pyridin-4-yl-4,7-dihydropyrazolo[1,5-a]pyridine-4,7-diol
CID 140268719
(6-Fluoro-3-pyridinyl)-[1-(oxan-2-yl)indazol-5-yl]methanol
CID 167294822
(Pyrazolo[5,1-a]isoquinolin-2-yl)methanol
CID 13161784
(1-Methyl-4-pyridin-4-ylpyrazol-3-yl)-phenylmethanol
CID 22574538

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol?
The IUPAC name of 4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol (CID 158415584) is 4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol.
What is the SMILES notation for 4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol?
The canonical SMILES for 4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol is OC1C2=CCc3nccc(c32)-c2cn(C3CCCCO3)nc21.
What is the InChIKey of 4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol?
The InChIKey is MIYVYGXPKVYPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-17-11-4-5-13-15(11)10(6-7-18-13)12-9-20(19-16(12)17)14-3-1-2-8-22-14/h4,6-7,9,14,17,21H,1-3,5,8H2.
What are the key properties of 4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol?
4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol has a molecular weight of 295.34 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol is sourced from PubChem (CID 158415584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).