4-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1,2,4-triazole-3,5-diamine

C23H19Cl2N7O — CID 59238923

IUPAC4-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1,2,4-triazole-3,5-diamine
SMILESNc1nnc(N)n1CCCOc1c2[nH]c3ccc(Cl)cc3c2cc2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C23H19Cl2N7O/c24-11-2-4-17-13(8-11)15-10-16-14-9-12(25)3-5-18(14)29-20(16)21(19(15)28-17)33-7-1-6-32-22(26)30-31-23(32)27/h2-5,8-10,28-29H,1,6-7H2,(H2,26,30)(H2,27,31)
InChIKeyAGABXFOCPAJTOD-UHFFFAOYSA-N
MW480.36 g/mol
LogP5.49
Rot. Bonds5

About 4-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1,2,4-triazole-3,5-diamine

4-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1,2,4-triazole-3,5-diamine (PubChem CID 59238923) has the molecular formula C23H19Cl2N7O and a molecular weight of 480.36 g/mol. Its IUPAC name is 4-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name4-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1,2,4-triazole-3,5-diamine
PubChem CID59238923
Molecular FormulaC23H19Cl2N7O
Molecular Weight480.36 g/mol
Exact Mass479.10
IUPAC Name4-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1,2,4-triazole-3,5-diamine
SMILESNc1nnc(N)n1CCCOc1c2[nH]c3ccc(Cl)cc3c2cc2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C23H19Cl2N7O/c24-11-2-4-17-13(8-11)15-10-16-14-9-12(25)3-5-18(14)29-20(16)21(19(15)28-17)33-7-1-6-32-22(26)30-31-23(32)27/h2-5,8-10,28-29H,1,6-7H2,(H2,26,30)(H2,27,31)
InChIKeyAGABXFOCPAJTOD-UHFFFAOYSA-N
XLogP5.49
TPSA123.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.36
LogP ≤ 55.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1,2,4-triazole-3,5-diamine?
The IUPAC name of 4-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1,2,4-triazole-3,5-diamine (CID 59238923) is 4-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 4-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 4-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1,2,4-triazole-3,5-diamine is Nc1nnc(N)n1CCCOc1c2[nH]c3ccc(Cl)cc3c2cc2c1[nH]c1ccc(Cl)cc12.
What is the InChIKey of 4-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1,2,4-triazole-3,5-diamine?
The InChIKey is AGABXFOCPAJTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N7O/c24-11-2-4-17-13(8-11)15-10-16-14-9-12(25)3-5-18(14)29-20(16)21(19(15)28-17)33-7-1-6-32-22(26)30-31-23(32)27/h2-5,8-10,28-29H,1,6-7H2,(H2,26,30)(H2,27,31).
What are the key properties of 4-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1,2,4-triazole-3,5-diamine?
4-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1,2,4-triazole-3,5-diamine has a molecular weight of 480.36 g/mol, XLogP of 5.49, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 59238923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).