4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine

C15H13Br2N5 — CID 20662565

IUPAC4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine
SMILESCc1cc2c(nnn2C)c(N2CCc3cc(Br)cc(Br)c32)n1
InChIInChI=1S/C15H13Br2N5/c1-8-5-12-13(19-20-21(12)2)15(18-8)22-4-3-9-6-10(16)7-11(17)14(9)22/h5-7H,3-4H2,1-2H3
InChIKeyBHXSDNOIXQOVKP-UHFFFAOYSA-N
MW423.11 g/mol
LogP3.89
Rot. Bonds1

About 4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine

4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine (PubChem CID 20662565) has the molecular formula C15H13Br2N5 and a molecular weight of 423.11 g/mol. Its IUPAC name is 4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine
PubChem CID20662565
Molecular FormulaC15H13Br2N5
Molecular Weight423.11 g/mol
Exact Mass420.95
IUPAC Name4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine
SMILESCc1cc2c(nnn2C)c(N2CCc3cc(Br)cc(Br)c32)n1
InChIInChI=1S/C15H13Br2N5/c1-8-5-12-13(19-20-21(12)2)15(18-8)22-4-3-9-6-10(16)7-11(17)14(9)22/h5-7H,3-4H2,1-2H3
InChIKeyBHXSDNOIXQOVKP-UHFFFAOYSA-N
XLogP3.89
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.11
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine?
The IUPAC name of 4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine (CID 20662565) is 4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine.
What is the SMILES notation for 4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine?
The canonical SMILES for 4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine is Cc1cc2c(nnn2C)c(N2CCc3cc(Br)cc(Br)c32)n1.
What is the InChIKey of 4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine?
The InChIKey is BHXSDNOIXQOVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2N5/c1-8-5-12-13(19-20-21(12)2)15(18-8)22-4-3-9-6-10(16)7-11(17)14(9)22/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine?
4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine has a molecular weight of 423.11 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine is sourced from PubChem (CID 20662565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).