3-(3-propan-2-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole

C18H17N5 — CID 22479753

IUPAC3-(3-propan-2-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESCC(C)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C18H17N5/c1-11(2)12-4-3-5-13(8-12)17-15-9-14(18-19-10-20-23-18)6-7-16(15)21-22-17/h3-11H,1-2H3,(H,21,22)(H,19,20,23)
InChIKeyGKMOCCVRZANRAM-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.14
Rot. Bonds3

About 3-(3-propan-2-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole

3-(3-propan-2-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (PubChem CID 22479753) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-(3-propan-2-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-(3-propan-2-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
PubChem CID22479753
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name3-(3-propan-2-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESCC(C)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C18H17N5/c1-11(2)12-4-3-5-13(8-12)17-15-9-14(18-19-10-20-23-18)6-7-16(15)21-22-17/h3-11H,1-2H3,(H,21,22)(H,19,20,23)
InChIKeyGKMOCCVRZANRAM-UHFFFAOYSA-N
XLogP4.14
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The IUPAC name of 3-(3-propan-2-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (CID 22479753) is 3-(3-propan-2-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-(3-propan-2-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The canonical SMILES for 3-(3-propan-2-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is CC(C)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of 3-(3-propan-2-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The InChIKey is GKMOCCVRZANRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-11(2)12-4-3-5-13(8-12)17-15-9-14(18-19-10-20-23-18)6-7-16(15)21-22-17/h3-11H,1-2H3,(H,21,22)(H,19,20,23).
What are the key properties of 3-(3-propan-2-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
3-(3-propan-2-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole has a molecular weight of 303.37 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is sourced from PubChem (CID 22479753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).