1-(oxan-2-yl)-3-phenyl-5-(1H-1,2,4-triazol-5-yl)indazole

C20H19N5O — CID 21101185

IUPAC1-(oxan-2-yl)-3-phenyl-5-(1H-1,2,4-triazol-5-yl)indazole
SMILESc1ccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn[nH]4)cc23)cc1
InChIInChI=1S/C20H19N5O/c1-2-6-14(7-3-1)19-16-12-15(20-21-13-22-23-20)9-10-17(16)25(24-19)18-8-4-5-11-26-18/h1-3,6-7,9-10,12-13,18H,4-5,8,11H2,(H,21,22,23)
InChIKeyWRVKZLRKLDLADP-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.19
Rot. Bonds3

About 1-(oxan-2-yl)-3-phenyl-5-(1H-1,2,4-triazol-5-yl)indazole

1-(oxan-2-yl)-3-phenyl-5-(1H-1,2,4-triazol-5-yl)indazole (PubChem CID 21101185) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-(oxan-2-yl)-3-phenyl-5-(1H-1,2,4-triazol-5-yl)indazole.

Molecular Properties

Compound Name1-(oxan-2-yl)-3-phenyl-5-(1H-1,2,4-triazol-5-yl)indazole
PubChem CID21101185
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name1-(oxan-2-yl)-3-phenyl-5-(1H-1,2,4-triazol-5-yl)indazole
SMILESc1ccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn[nH]4)cc23)cc1
InChIInChI=1S/C20H19N5O/c1-2-6-14(7-3-1)19-16-12-15(20-21-13-22-23-20)9-10-17(16)25(24-19)18-8-4-5-11-26-18/h1-3,6-7,9-10,12-13,18H,4-5,8,11H2,(H,21,22,23)
InChIKeyWRVKZLRKLDLADP-UHFFFAOYSA-N
XLogP4.19
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-3-phenyl-5-(1H-1,2,4-triazol-5-yl)indazole?
The IUPAC name of 1-(oxan-2-yl)-3-phenyl-5-(1H-1,2,4-triazol-5-yl)indazole (CID 21101185) is 1-(oxan-2-yl)-3-phenyl-5-(1H-1,2,4-triazol-5-yl)indazole.
What is the SMILES notation for 1-(oxan-2-yl)-3-phenyl-5-(1H-1,2,4-triazol-5-yl)indazole?
The canonical SMILES for 1-(oxan-2-yl)-3-phenyl-5-(1H-1,2,4-triazol-5-yl)indazole is c1ccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn[nH]4)cc23)cc1.
What is the InChIKey of 1-(oxan-2-yl)-3-phenyl-5-(1H-1,2,4-triazol-5-yl)indazole?
The InChIKey is WRVKZLRKLDLADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-6-14(7-3-1)19-16-12-15(20-21-13-22-23-20)9-10-17(16)25(24-19)18-8-4-5-11-26-18/h1-3,6-7,9-10,12-13,18H,4-5,8,11H2,(H,21,22,23).
What are the key properties of 1-(oxan-2-yl)-3-phenyl-5-(1H-1,2,4-triazol-5-yl)indazole?
1-(oxan-2-yl)-3-phenyl-5-(1H-1,2,4-triazol-5-yl)indazole has a molecular weight of 345.41 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-3-phenyl-5-(1H-1,2,4-triazol-5-yl)indazole is sourced from PubChem (CID 21101185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).