8-methyl-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-ol

C23H26N4O2 — CID 166630022

IUPAC8-methyl-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-ol
SMILESCc1ccc2c(c1)CC(O)Cc1nnc(C3CCC(Oc4ccccn4)CC3)n1-2
InChIInChI=1S/C23H26N4O2/c1-15-5-10-20-17(12-15)13-18(28)14-21-25-26-23(27(20)21)16-6-8-19(9-7-16)29-22-4-2-3-11-24-22/h2-5,10-12,16,18-19,28H,6-9,13-14H2,1H3
InChIKeyOKGIUENNJXNSNR-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.54
Rot. Bonds3

About 8-methyl-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-ol

8-methyl-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-ol (PubChem CID 166630022) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 8-methyl-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-ol.

Molecular Properties

Compound Name8-methyl-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-ol
PubChem CID166630022
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name8-methyl-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-ol
SMILESCc1ccc2c(c1)CC(O)Cc1nnc(C3CCC(Oc4ccccn4)CC3)n1-2
InChIInChI=1S/C23H26N4O2/c1-15-5-10-20-17(12-15)13-18(28)14-21-25-26-23(27(20)21)16-6-8-19(9-7-16)29-22-4-2-3-11-24-22/h2-5,10-12,16,18-19,28H,6-9,13-14H2,1H3
InChIKeyOKGIUENNJXNSNR-UHFFFAOYSA-N
XLogP3.54
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-ol?
The IUPAC name of 8-methyl-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-ol (CID 166630022) is 8-methyl-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-ol.
What is the SMILES notation for 8-methyl-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-ol?
The canonical SMILES for 8-methyl-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-ol is Cc1ccc2c(c1)CC(O)Cc1nnc(C3CCC(Oc4ccccn4)CC3)n1-2.
What is the InChIKey of 8-methyl-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-ol?
The InChIKey is OKGIUENNJXNSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-5-10-20-17(12-15)13-18(28)14-21-25-26-23(27(20)21)16-6-8-19(9-7-16)29-22-4-2-3-11-24-22/h2-5,10-12,16,18-19,28H,6-9,13-14H2,1H3.
What are the key properties of 8-methyl-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-ol?
8-methyl-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-ol has a molecular weight of 390.49 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-ol is sourced from PubChem (CID 166630022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).