1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone

C18H23N5O2 — CID 74243719

IUPAC1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone
SMILESO=C(Cn1ccnn1)N1CCN(C2Cc3ccccc3C2)CC(O)C1
InChIInChI=1S/C18H23N5O2/c24-17-11-21(16-9-14-3-1-2-4-15(14)10-16)7-8-22(12-17)18(25)13-23-6-5-19-20-23/h1-6,16-17,24H,7-13H2
InChIKeyUMJHLOIEODBZQP-UHFFFAOYSA-N
MW341.42 g/mol
LogP-0.05
Rot. Bonds3

About 1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone

1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone (PubChem CID 74243719) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone
PubChem CID74243719
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone
SMILESO=C(Cn1ccnn1)N1CCN(C2Cc3ccccc3C2)CC(O)C1
InChIInChI=1S/C18H23N5O2/c24-17-11-21(16-9-14-3-1-2-4-15(14)10-16)7-8-22(12-17)18(25)13-23-6-5-19-20-23/h1-6,16-17,24H,7-13H2
InChIKeyUMJHLOIEODBZQP-UHFFFAOYSA-N
XLogP-0.05
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-2-[2-(triazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895489
1-benzyl-3-[4-[2-(triazol-1-yl)acetyl]piperazin-1-yl]piperidin-2-one
CID 75475147
1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 97343704
1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 118792880
1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 95862187
1-(3-hydroxyazetidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 63106204
1-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]triazole
CID 121183638
6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 115348360
1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 81479505
1-[4-(3-bromophenyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 100693549
1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone
CID 63106745
2-(benzotriazol-2-yl)-1-(6-hydroxy-4-methyl-1,4-diazepan-1-yl)ethanone
CID 74250068

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone?
The IUPAC name of 1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone (CID 74243719) is 1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone is O=C(Cn1ccnn1)N1CCN(C2Cc3ccccc3C2)CC(O)C1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone?
The InChIKey is UMJHLOIEODBZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-17-11-21(16-9-14-3-1-2-4-15(14)10-16)7-8-22(12-17)18(25)13-23-6-5-19-20-23/h1-6,16-17,24H,7-13H2.
What are the key properties of 1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone?
1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone has a molecular weight of 341.42 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone is sourced from PubChem (CID 74243719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).