2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol

C15H15N5O — CID 154799004

IUPAC2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol
SMILESOC1CCN(c2nccn3cnnc23)Cc2ccccc21
InChIInChI=1S/C15H15N5O/c21-13-5-7-19(9-11-3-1-2-4-12(11)13)14-15-18-17-10-20(15)8-6-16-14/h1-4,6,8,10,13,21H,5,7,9H2
InChIKeyZXHUGWBPPAXUNT-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.57
Rot. Bonds1

About 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol

2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol (PubChem CID 154799004) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol.

Molecular Properties

Compound Name2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol
PubChem CID154799004
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol
SMILESOC1CCN(c2nccn3cnnc23)Cc2ccccc21
InChIInChI=1S/C15H15N5O/c21-13-5-7-19(9-11-3-1-2-4-12(11)13)14-15-18-17-10-20(15)8-6-16-14/h1-4,6,8,10,13,21H,5,7,9H2
InChIKeyZXHUGWBPPAXUNT-UHFFFAOYSA-N
XLogP1.57
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol with MolForge

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Related Compounds

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8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
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4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline
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8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
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cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 129480645
(5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol
CID 97342141
2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide
CID 119104882
N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
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8-[(3aR,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 97218844
8-[(3aS,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 97218843
1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide
CID 75202556
2,3-dihydroindol-1-yl-[(1R,2S,4R)-7-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 124882661

Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol?
The IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol (CID 154799004) is 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol.
What is the SMILES notation for 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol?
The canonical SMILES for 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol is OC1CCN(c2nccn3cnnc23)Cc2ccccc21.
What is the InChIKey of 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol?
The InChIKey is ZXHUGWBPPAXUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c21-13-5-7-19(9-11-3-1-2-4-12(11)13)14-15-18-17-10-20(15)8-6-16-14/h1-4,6,8,10,13,21H,5,7,9H2.
What are the key properties of 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol?
2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol has a molecular weight of 281.32 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol is sourced from PubChem (CID 154799004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).