[5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate

C20H17N5O3 — CID 174599685

IUPAC[5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate
SMILESCC(=O)Oc1c(-c2ccc3c(cnn3C(C)=O)c2)nnn1Cc1ccccc1
InChIInChI=1S/C20H17N5O3/c1-13(26)25-18-9-8-16(10-17(18)11-21-25)19-20(28-14(2)27)24(23-22-19)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyHNGYHXJVJJFXJX-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.93
Rot. Bonds4

About [5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate

[5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate (PubChem CID 174599685) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is [5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate.

Molecular Properties

Compound Name[5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate
PubChem CID174599685
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name[5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate
SMILESCC(=O)Oc1c(-c2ccc3c(cnn3C(C)=O)c2)nnn1Cc1ccccc1
InChIInChI=1S/C20H17N5O3/c1-13(26)25-18-9-8-16(10-17(18)11-21-25)19-20(28-14(2)27)24(23-22-19)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyHNGYHXJVJJFXJX-UHFFFAOYSA-N
XLogP2.93
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate 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

1-[5-(1-benzyl-5-methyltriazol-4-yl)indazol-1-yl]ethanone
CID 68988882
1-[5-[1-benzyl-5-(2-methylphenyl)triazol-4-yl]-3-methylindazol-1-yl]ethanone
CID 68720647
(3-benzyl-5-phenyltriazol-4-yl)methyl acetate
CID 138980861
[5-(1-benzyltriazol-4-yl)indazol-1-yl]-(1-methylpiperidin-2-yl)methanone
CID 154459878
1-(5-bromoindazol-1-yl)ethanone
CID 15278610
1-[(4-phenylphenyl)methyl]indazole-5-carboxylic acid
CID 169187967
1-benzyl-5-pyridazin-3-ylindazole
CID 173219468
(1-acetyl-6-bromoindazol-5-yl) acetate
CID 66767123
1-benzyl-5-pyridazin-4-ylindazole
CID 173219391
[4-(benzotriazol-1-ylmethyl)phenyl] acetate
CID 89269393
1-benzyl-5-chloro-4-(4-methoxyphenyl)triazole
CID 72701213
3-benzyl-5-(1H-indazol-5-yl)-N-(3-indazol-1-ylpropyl)triazole-4-carboxamide
CID 142763268

Frequently Asked Questions

What is the IUPAC name of [5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate?
The IUPAC name of [5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate (CID 174599685) is [5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate.
What is the SMILES notation for [5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate?
The canonical SMILES for [5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate is CC(=O)Oc1c(-c2ccc3c(cnn3C(C)=O)c2)nnn1Cc1ccccc1.
What is the InChIKey of [5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate?
The InChIKey is HNGYHXJVJJFXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-13(26)25-18-9-8-16(10-17(18)11-21-25)19-20(28-14(2)27)24(23-22-19)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3.
What are the key properties of [5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate?
[5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate has a molecular weight of 375.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate is sourced from PubChem (CID 174599685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).