5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazole

C19H17N5 — CID 25164882

IUPAC5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazole
SMILESc1ccc(Cn2nnc(-c3ccc4[nH]ncc4c3)c2C2CC2)cc1
InChIInChI=1S/C19H17N5/c1-2-4-13(5-3-1)12-24-19(14-6-7-14)18(22-23-24)15-8-9-17-16(10-15)11-20-21-17/h1-5,8-11,14H,6-7,12H2,(H,20,21)
InChIKeyJXMYIDZREHNPDO-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.75
Rot. Bonds4

About 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazole

5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazole (PubChem CID 25164882) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazole
PubChem CID25164882
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazole
SMILESc1ccc(Cn2nnc(-c3ccc4[nH]ncc4c3)c2C2CC2)cc1
InChIInChI=1S/C19H17N5/c1-2-4-13(5-3-1)12-24-19(14-6-7-14)18(22-23-24)15-8-9-17-16(10-15)11-20-21-17/h1-5,8-11,14H,6-7,12H2,(H,20,21)
InChIKeyJXMYIDZREHNPDO-UHFFFAOYSA-N
XLogP3.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazole?
The IUPAC name of 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazole (CID 25164882) is 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazole.
What is the SMILES notation for 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazole?
The canonical SMILES for 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazole is c1ccc(Cn2nnc(-c3ccc4[nH]ncc4c3)c2C2CC2)cc1.
What is the InChIKey of 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazole?
The InChIKey is JXMYIDZREHNPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-2-4-13(5-3-1)12-24-19(14-6-7-14)18(22-23-24)15-8-9-17-16(10-15)11-20-21-17/h1-5,8-11,14H,6-7,12H2,(H,20,21).
What are the key properties of 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazole?
5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazole has a molecular weight of 315.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazole is sourced from PubChem (CID 25164882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).