5-(2H-triazol-4-yl)-1H-indazole

C9H7N5 — CID 25165860

IUPAC5-(2H-triazol-4-yl)-1H-indazole
SMILESc1cc2[nH]ncc2cc1-c1cn[nH]n1
InChIInChI=1S/C9H7N5/c1-2-8-7(4-10-12-8)3-6(1)9-5-11-14-13-9/h1-5H,(H,10,12)(H,11,13,14)
InChIKeyMCXNJEWRZUGGHR-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.35
Rot. Bonds1

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

5-(2H-triazol-4-yl)-1H-indazole (PubChem CID 25165860) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 5-(2H-triazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name5-(2H-triazol-4-yl)-1H-indazole
PubChem CID25165860
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name5-(2H-triazol-4-yl)-1H-indazole
SMILESc1cc2[nH]ncc2cc1-c1cn[nH]n1
InChIInChI=1S/C9H7N5/c1-2-8-7(4-10-12-8)3-6(1)9-5-11-14-13-9/h1-5H,(H,10,12)(H,11,13,14)
InChIKeyMCXNJEWRZUGGHR-UHFFFAOYSA-N
XLogP1.35
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-triazol-4-yl)-1H-indazole?
The IUPAC name of 5-(2H-triazol-4-yl)-1H-indazole (CID 25165860) is 5-(2H-triazol-4-yl)-1H-indazole.
What is the SMILES notation for 5-(2H-triazol-4-yl)-1H-indazole?
The canonical SMILES for 5-(2H-triazol-4-yl)-1H-indazole is c1cc2[nH]ncc2cc1-c1cn[nH]n1.
What is the InChIKey of 5-(2H-triazol-4-yl)-1H-indazole?
The InChIKey is MCXNJEWRZUGGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c1-2-8-7(4-10-12-8)3-6(1)9-5-11-14-13-9/h1-5H,(H,10,12)(H,11,13,14).
What are the key properties of 5-(2H-triazol-4-yl)-1H-indazole?
5-(2H-triazol-4-yl)-1H-indazole has a molecular weight of 185.19 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-triazol-4-yl)-1H-indazole is sourced from PubChem (CID 25165860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).