1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone

C20H21N5O — CID 125419700

IUPAC1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone
SMILESCn1cc(CNc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)nn1
InChIInChI=1S/C20H21N5O/c1-24-14-18(22-23-24)13-21-17-8-7-16-9-10-25(19(16)12-17)20(26)11-15-5-3-2-4-6-15/h2-8,12,14,21H,9-11,13H2,1H3
InChIKeyPENVMXANBYVGKL-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.56
Rot. Bonds5

About 1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone

1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone (PubChem CID 125419700) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone
PubChem CID125419700
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone
SMILESCn1cc(CNc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)nn1
InChIInChI=1S/C20H21N5O/c1-24-14-18(22-23-24)13-21-17-8-7-16-9-10-25(19(16)12-17)20(26)11-15-5-3-2-4-6-15/h2-8,12,14,21H,9-11,13H2,1H3
InChIKeyPENVMXANBYVGKL-UHFFFAOYSA-N
XLogP2.56
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone 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 1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone?
The IUPAC name of 1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone (CID 125419700) is 1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone is Cn1cc(CNc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)nn1.
What is the InChIKey of 1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone?
The InChIKey is PENVMXANBYVGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-24-14-18(22-23-24)13-21-17-8-7-16-9-10-25(19(16)12-17)20(26)11-15-5-3-2-4-6-15/h2-8,12,14,21H,9-11,13H2,1H3.
What are the key properties of 1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone?
1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone has a molecular weight of 347.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone is sourced from PubChem (CID 125419700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).