3,5-bis(1-benzyltriazol-4-yl)-1H-indazole

C25H20N8 — CID 25164271

IUPAC3,5-bis(1-benzyltriazol-4-yl)-1H-indazole
SMILESc1ccc(Cn2cc(-c3ccc4[nH]nc(-c5cn(Cc6ccccc6)nn5)c4c3)nn2)cc1
InChIInChI=1S/C25H20N8/c1-3-7-18(8-4-1)14-32-16-23(27-30-32)20-11-12-22-21(13-20)25(29-26-22)24-17-33(31-28-24)15-19-9-5-2-6-10-19/h1-13,16-17H,14-15H2,(H,26,29)
InChIKeyVUWOSKCPLJROAK-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.18
Rot. Bonds6

About 3,5-bis(1-benzyltriazol-4-yl)-1H-indazole

3,5-bis(1-benzyltriazol-4-yl)-1H-indazole (PubChem CID 25164271) has the molecular formula C25H20N8 and a molecular weight of 432.49 g/mol. Its IUPAC name is 3,5-bis(1-benzyltriazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name3,5-bis(1-benzyltriazol-4-yl)-1H-indazole
PubChem CID25164271
Molecular FormulaC25H20N8
Molecular Weight432.49 g/mol
Exact Mass432.18
IUPAC Name3,5-bis(1-benzyltriazol-4-yl)-1H-indazole
SMILESc1ccc(Cn2cc(-c3ccc4[nH]nc(-c5cn(Cc6ccccc6)nn5)c4c3)nn2)cc1
InChIInChI=1S/C25H20N8/c1-3-7-18(8-4-1)14-32-16-23(27-30-32)20-11-12-22-21(13-20)25(29-26-22)24-17-33(31-28-24)15-19-9-5-2-6-10-19/h1-13,16-17H,14-15H2,(H,26,29)
InChIKeyVUWOSKCPLJROAK-UHFFFAOYSA-N
XLogP4.18
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1-benzyltriazol-4-yl)-1H-indazole?
The IUPAC name of 3,5-bis(1-benzyltriazol-4-yl)-1H-indazole (CID 25164271) is 3,5-bis(1-benzyltriazol-4-yl)-1H-indazole.
What is the SMILES notation for 3,5-bis(1-benzyltriazol-4-yl)-1H-indazole?
The canonical SMILES for 3,5-bis(1-benzyltriazol-4-yl)-1H-indazole is c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5cn(Cc6ccccc6)nn5)c4c3)nn2)cc1.
What is the InChIKey of 3,5-bis(1-benzyltriazol-4-yl)-1H-indazole?
The InChIKey is VUWOSKCPLJROAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N8/c1-3-7-18(8-4-1)14-32-16-23(27-30-32)20-11-12-22-21(13-20)25(29-26-22)24-17-33(31-28-24)15-19-9-5-2-6-10-19/h1-13,16-17H,14-15H2,(H,26,29).
What are the key properties of 3,5-bis(1-benzyltriazol-4-yl)-1H-indazole?
3,5-bis(1-benzyltriazol-4-yl)-1H-indazole has a molecular weight of 432.49 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1-benzyltriazol-4-yl)-1H-indazole is sourced from PubChem (CID 25164271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).