3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole

C12H14N4 — CID 115825920

IUPAC3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
SMILESCc1nc(C2CNc3ccccc32)n(C)n1
InChIInChI=1S/C12H14N4/c1-8-14-12(16(2)15-8)10-7-13-11-6-4-3-5-9(10)11/h3-6,10,13H,7H2,1-2H3
InChIKeyABXJVJBEZAQMNW-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.68
Rot. Bonds1

About 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole

3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole (PubChem CID 115825920) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
PubChem CID115825920
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
SMILESCc1nc(C2CNc3ccccc32)n(C)n1
InChIInChI=1S/C12H14N4/c1-8-14-12(16(2)15-8)10-7-13-11-6-4-3-5-9(10)11/h3-6,10,13H,7H2,1-2H3
InChIKeyABXJVJBEZAQMNW-UHFFFAOYSA-N
XLogP1.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole (CID 115825920) is 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole is Cc1nc(C2CNc3ccccc32)n(C)n1.
What is the InChIKey of 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The InChIKey is ABXJVJBEZAQMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-8-14-12(16(2)15-8)10-7-13-11-6-4-3-5-9(10)11/h3-6,10,13H,7H2,1-2H3.
What are the key properties of 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole has a molecular weight of 214.27 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 115825920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).