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

C10H10N4 — CID 82512188

IUPAC6-(triazol-1-yl)-2,3-dihydro-1H-indole
SMILESc1cn(-c2ccc3c(c2)NCC3)nn1
InChIInChI=1S/C10H10N4/c1-2-9(14-6-5-12-13-14)7-10-8(1)3-4-11-10/h1-2,5-7,11H,3-4H2
InChIKeyLFHYXDSFKHSIGS-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.24
Rot. Bonds1

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

6-(triazol-1-yl)-2,3-dihydro-1H-indole (PubChem CID 82512188) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 6-(triazol-1-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-(triazol-1-yl)-2,3-dihydro-1H-indole
PubChem CID82512188
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name6-(triazol-1-yl)-2,3-dihydro-1H-indole
SMILESc1cn(-c2ccc3c(c2)NCC3)nn1
InChIInChI=1S/C10H10N4/c1-2-9(14-6-5-12-13-14)7-10-8(1)3-4-11-10/h1-2,5-7,11H,3-4H2
InChIKeyLFHYXDSFKHSIGS-UHFFFAOYSA-N
XLogP1.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(triazol-1-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-(triazol-1-yl)-2,3-dihydro-1H-indole (CID 82512188) is 6-(triazol-1-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-(triazol-1-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-(triazol-1-yl)-2,3-dihydro-1H-indole is c1cn(-c2ccc3c(c2)NCC3)nn1.
What is the InChIKey of 6-(triazol-1-yl)-2,3-dihydro-1H-indole?
The InChIKey is LFHYXDSFKHSIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-2-9(14-6-5-12-13-14)7-10-8(1)3-4-11-10/h1-2,5-7,11H,3-4H2.
What are the key properties of 6-(triazol-1-yl)-2,3-dihydro-1H-indole?
6-(triazol-1-yl)-2,3-dihydro-1H-indole has a molecular weight of 186.22 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(triazol-1-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 82512188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).