6-bromo-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindole

C15H17BrN4 — CID 56788668

IUPAC6-bromo-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindole
SMILESCn1c(CN2CCc3ccc(Br)cc32)nnc1C1CC1
InChIInChI=1S/C15H17BrN4/c1-19-14(17-18-15(19)11-2-3-11)9-20-7-6-10-4-5-12(16)8-13(10)20/h4-5,8,11H,2-3,6-7,9H2,1H3
InChIKeyIRSFMTKICXSCKQ-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.02
Rot. Bonds3

About 6-bromo-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindole

6-bromo-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindole (PubChem CID 56788668) has the molecular formula C15H17BrN4 and a molecular weight of 333.23 g/mol. Its IUPAC name is 6-bromo-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name6-bromo-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindole
PubChem CID56788668
Molecular FormulaC15H17BrN4
Molecular Weight333.23 g/mol
Exact Mass332.06
IUPAC Name6-bromo-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindole
SMILESCn1c(CN2CCc3ccc(Br)cc32)nnc1C1CC1
InChIInChI=1S/C15H17BrN4/c1-19-14(17-18-15(19)11-2-3-11)9-20-7-6-10-4-5-12(16)8-13(10)20/h4-5,8,11H,2-3,6-7,9H2,1H3
InChIKeyIRSFMTKICXSCKQ-UHFFFAOYSA-N
XLogP3.02
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindole?
The IUPAC name of 6-bromo-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindole (CID 56788668) is 6-bromo-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 6-bromo-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindole?
The canonical SMILES for 6-bromo-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindole is Cn1c(CN2CCc3ccc(Br)cc32)nnc1C1CC1.
What is the InChIKey of 6-bromo-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindole?
The InChIKey is IRSFMTKICXSCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4/c1-19-14(17-18-15(19)11-2-3-11)9-20-7-6-10-4-5-12(16)8-13(10)20/h4-5,8,11H,2-3,6-7,9H2,1H3.
What are the key properties of 6-bromo-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindole?
6-bromo-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindole has a molecular weight of 333.23 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 56788668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).