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

C11H12N4 — CID 62694070

IUPAC2-(4-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
SMILESCn1cnnc1C1Cc2ccccc2N1
InChIInChI=1S/C11H12N4/c1-15-7-12-14-11(15)10-6-8-4-2-3-5-9(8)13-10/h2-5,7,10,13H,6H2,1H3
InChIKeyOOTMYYQLHDTHMO-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.52
Rot. Bonds1

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

2-(4-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole (PubChem CID 62694070) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 2-(4-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(4-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
PubChem CID62694070
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name2-(4-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
SMILESCn1cnnc1C1Cc2ccccc2N1
InChIInChI=1S/C11H12N4/c1-15-7-12-14-11(15)10-6-8-4-2-3-5-9(8)13-10/h2-5,7,10,13H,6H2,1H3
InChIKeyOOTMYYQLHDTHMO-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole (CID 62694070) is 2-(4-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(4-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(4-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole is Cn1cnnc1C1Cc2ccccc2N1.
What is the InChIKey of 2-(4-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The InChIKey is OOTMYYQLHDTHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-15-7-12-14-11(15)10-6-8-4-2-3-5-9(8)13-10/h2-5,7,10,13H,6H2,1H3.
What are the key properties of 2-(4-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
2-(4-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole has a molecular weight of 200.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 62694070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).