1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole

C22H24N6O — CID 112957347

IUPAC1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole
SMILESCOc1ccccc1N1CCN(c2cnnc(N3CCc4ccccc43)n2)CC1
InChIInChI=1S/C22H24N6O/c1-29-20-9-5-4-8-19(20)26-12-14-27(15-13-26)21-16-23-25-22(24-21)28-11-10-17-6-2-3-7-18(17)28/h2-9,16H,10-15H2,1H3
InChIKeyPJCJTDQXECVBSY-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.90
Rot. Bonds4

About 1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole

1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole (PubChem CID 112957347) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole
PubChem CID112957347
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole
SMILESCOc1ccccc1N1CCN(c2cnnc(N3CCc4ccccc43)n2)CC1
InChIInChI=1S/C22H24N6O/c1-29-20-9-5-4-8-19(20)26-12-14-27(15-13-26)21-16-23-25-22(24-21)28-11-10-17-6-2-3-7-18(17)28/h2-9,16H,10-15H2,1H3
InChIKeyPJCJTDQXECVBSY-UHFFFAOYSA-N
XLogP2.90
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole 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

3-(2,3-dihydroindol-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine
CID 112962359
N-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957363
3-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazin-5-amine
CID 112958669
5-[4-(2-methoxyphenyl)piperazin-1-yl]-2H-1,2,4-triazine-3-thione
CID 23412211
3-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazin-5-amine
CID 112962724
3-[[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112957368
1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole
CID 112923655
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112950932
3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine
CID 112948938
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 155823172
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112947900
2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 112953240

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole?
The IUPAC name of 1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole (CID 112957347) is 1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole?
The canonical SMILES for 1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole is COc1ccccc1N1CCN(c2cnnc(N3CCc4ccccc43)n2)CC1.
What is the InChIKey of 1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole?
The InChIKey is PJCJTDQXECVBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-29-20-9-5-4-8-19(20)26-12-14-27(15-13-26)21-16-23-25-22(24-21)28-11-10-17-6-2-3-7-18(17)28/h2-9,16H,10-15H2,1H3.
What are the key properties of 1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole?
1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole has a molecular weight of 388.48 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2,3-dihydroindole is sourced from PubChem (CID 112957347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).