6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole

C11H12N4 — CID 82512309

IUPAC6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole
SMILESCc1ncn(-c2ccc3c(c2)NCC3)n1
InChIInChI=1S/C11H12N4/c1-8-13-7-15(14-8)10-3-2-9-4-5-12-11(9)6-10/h2-3,6-7,12H,4-5H2,1H3
InChIKeyMHNZQWIRXUWYKU-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.54
Rot. Bonds1

About 6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole

6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole (PubChem CID 82512309) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole
PubChem CID82512309
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole
SMILESCc1ncn(-c2ccc3c(c2)NCC3)n1
InChIInChI=1S/C11H12N4/c1-8-13-7-15(14-8)10-3-2-9-4-5-12-11(9)6-10/h2-3,6-7,12H,4-5H2,1H3
InChIKeyMHNZQWIRXUWYKU-UHFFFAOYSA-N
XLogP1.54
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole 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

6-(1,2,4-triazol-4-yl)-2,3-dihydro-1H-indole
CID 82512186
6-(triazol-1-yl)-2,3-dihydro-1H-indole
CID 82512188
7-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81224448
6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole
CID 59435381
1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one
CID 82512682
6-methyl-2-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 118499519
1-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]piperazine
CID 82513477
6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698588
4-(2,3-dihydro-1H-indol-6-yl)morpholine
CID 39240725
2-[[1-(2,3-dihydro-1H-indol-6-yl)triazol-4-yl]methyl]propane-1,3-diol
CID 166393549
1-(2,3-dihydro-1H-indol-6-yl)-1,3-diazinane-2,4-dione
CID 163231111
6-bromo-2,3-dihydro-1H-indole
CID 13098379

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole (CID 82512309) is 6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole is Cc1ncn(-c2ccc3c(c2)NCC3)n1.
What is the InChIKey of 6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole?
The InChIKey is MHNZQWIRXUWYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-8-13-7-15(14-8)10-3-2-9-4-5-12-11(9)6-10/h2-3,6-7,12H,4-5H2,1H3.
What are the key properties of 6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole?
6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole has a molecular weight of 200.25 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 82512309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).