2-[(10S)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]phenol

C15H17N5O — CID 156562200

IUPAC2-[(10S)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]phenol
SMILESOc1ccccc1-c1cc2c(nn1)NC[C@@H]1CNCCN21
InChIInChI=1S/C15H17N5O/c21-14-4-2-1-3-11(14)12-7-13-15(19-18-12)17-9-10-8-16-5-6-20(10)13/h1-4,7,10,16,21H,5-6,8-9H2,(H,17,19)/t10-/m0/s1
InChIKeyITVIJNLODUWYKZ-JTQLQIEISA-N
MW283.33 g/mol
LogP1.05
Rot. Bonds1

About 2-[(10S)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]phenol

2-[(10S)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]phenol (PubChem CID 156562200) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(10S)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]phenol.

Molecular Properties

Compound Name2-[(10S)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]phenol
PubChem CID156562200
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-[(10S)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]phenol
SMILESOc1ccccc1-c1cc2c(nn1)NC[C@@H]1CNCCN21
InChIInChI=1S/C15H17N5O/c21-14-4-2-1-3-11(14)12-7-13-15(19-18-12)17-9-10-8-16-5-6-20(10)13/h1-4,7,10,16,21H,5-6,8-9H2,(H,17,19)/t10-/m0/s1
InChIKeyITVIJNLODUWYKZ-JTQLQIEISA-N
XLogP1.05
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(10S)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]phenol?
The IUPAC name of 2-[(10S)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]phenol (CID 156562200) is 2-[(10S)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]phenol.
What is the SMILES notation for 2-[(10S)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]phenol?
The canonical SMILES for 2-[(10S)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]phenol is Oc1ccccc1-c1cc2c(nn1)NC[C@@H]1CNCCN21.
What is the InChIKey of 2-[(10S)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]phenol?
The InChIKey is ITVIJNLODUWYKZ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N5O/c21-14-4-2-1-3-11(14)12-7-13-15(19-18-12)17-9-10-8-16-5-6-20(10)13/h1-4,7,10,16,21H,5-6,8-9H2,(H,17,19)/t10-/m0/s1.
What are the key properties of 2-[(10S)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]phenol?
2-[(10S)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]phenol has a molecular weight of 283.33 g/mol, XLogP of 1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(10S)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]phenol is sourced from PubChem (CID 156562200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).