[5-(2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,9,12,14-hexaen-8-yl)-1-phenyltriazol-4-yl]methanol

C20H16N8O — CID 67888966

IUPAC[5-(2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,9,12,14-hexaen-8-yl)-1-phenyltriazol-4-yl]methanol
SMILESOCc1nnn(-c2ccccc2)c1N1C=NC2c3ccccc3-n3cncc3N21
InChIInChI=1S/C20H16N8O/c29-11-16-20(27(24-23-16)14-6-2-1-3-7-14)26-13-22-19-15-8-4-5-9-17(15)25-12-21-10-18(25)28(19)26/h1-10,12-13,19,29H,11H2
InChIKeyBZCSJNNNMXQWHP-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.23
Rot. Bonds3

About [5-(2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,9,12,14-hexaen-8-yl)-1-phenyltriazol-4-yl]methanol

[5-(2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,9,12,14-hexaen-8-yl)-1-phenyltriazol-4-yl]methanol (PubChem CID 67888966) has the molecular formula C20H16N8O and a molecular weight of 384.40 g/mol. Its IUPAC name is [5-(2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,9,12,14-hexaen-8-yl)-1-phenyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,9,12,14-hexaen-8-yl)-1-phenyltriazol-4-yl]methanol
PubChem CID67888966
Molecular FormulaC20H16N8O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC Name[5-(2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,9,12,14-hexaen-8-yl)-1-phenyltriazol-4-yl]methanol
SMILESOCc1nnn(-c2ccccc2)c1N1C=NC2c3ccccc3-n3cncc3N21
InChIInChI=1S/C20H16N8O/c29-11-16-20(27(24-23-16)14-6-2-1-3-7-14)26-13-22-19-15-8-4-5-9-17(15)25-12-21-10-18(25)28(19)26/h1-10,12-13,19,29H,11H2
InChIKeyBZCSJNNNMXQWHP-UHFFFAOYSA-N
XLogP2.23
TPSA87.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [5-(2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,9,12,14-hexaen-8-yl)-1-phenyltriazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,9,12,14-hexaen-8-yl)-1-phenyltriazol-4-yl]methanol?
The IUPAC name of [5-(2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,9,12,14-hexaen-8-yl)-1-phenyltriazol-4-yl]methanol (CID 67888966) is [5-(2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,9,12,14-hexaen-8-yl)-1-phenyltriazol-4-yl]methanol.
What is the SMILES notation for [5-(2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,9,12,14-hexaen-8-yl)-1-phenyltriazol-4-yl]methanol?
The canonical SMILES for [5-(2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,9,12,14-hexaen-8-yl)-1-phenyltriazol-4-yl]methanol is OCc1nnn(-c2ccccc2)c1N1C=NC2c3ccccc3-n3cncc3N21.
What is the InChIKey of [5-(2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,9,12,14-hexaen-8-yl)-1-phenyltriazol-4-yl]methanol?
The InChIKey is BZCSJNNNMXQWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8O/c29-11-16-20(27(24-23-16)14-6-2-1-3-7-14)26-13-22-19-15-8-4-5-9-17(15)25-12-21-10-18(25)28(19)26/h1-10,12-13,19,29H,11H2.
What are the key properties of [5-(2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,9,12,14-hexaen-8-yl)-1-phenyltriazol-4-yl]methanol?
[5-(2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,9,12,14-hexaen-8-yl)-1-phenyltriazol-4-yl]methanol has a molecular weight of 384.40 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,9,12,14-hexaen-8-yl)-1-phenyltriazol-4-yl]methanol is sourced from PubChem (CID 67888966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).