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

C12H13N5 — CID 61349375

IUPAC3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
SMILESCC(C)c1nc(-c2n[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C12H13N5/c1-7(2)11-13-12(17-16-11)10-8-5-3-4-6-9(8)14-15-10/h3-7H,1-2H3,(H,14,15)(H,13,16,17)
InChIKeyOLGAVEOGPFETMZ-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.47
Rot. Bonds2

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

3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole (PubChem CID 61349375) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole.

Molecular Properties

Compound Name3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
PubChem CID61349375
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
SMILESCC(C)c1nc(-c2n[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C12H13N5/c1-7(2)11-13-12(17-16-11)10-8-5-3-4-6-9(8)14-15-10/h3-7H,1-2H3,(H,14,15)(H,13,16,17)
InChIKeyOLGAVEOGPFETMZ-UHFFFAOYSA-N
XLogP2.47
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole?
The IUPAC name of 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole (CID 61349375) is 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole.
What is the SMILES notation for 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole?
The canonical SMILES for 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole is CC(C)c1nc(-c2n[nH]c3ccccc23)n[nH]1.
What is the InChIKey of 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole?
The InChIKey is OLGAVEOGPFETMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-7(2)11-13-12(17-16-11)10-8-5-3-4-6-9(8)14-15-10/h3-7H,1-2H3,(H,14,15)(H,13,16,17).
What are the key properties of 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole?
3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole has a molecular weight of 227.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole is sourced from PubChem (CID 61349375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).