2H-benzotriazole;1H-indazole

C13H11N5 — CID 67829354

IUPAC2H-benzotriazole;1H-indazole
SMILESc1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1
InChIInChI=1S/C7H6N2.C6H5N3/c1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5(3-1)7-9-8-6/h1-5H,(H,8,9);1-4H,(H,7,8,9)
InChIKeyHJNAWGLDWOKLBZ-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.52
Rot. Bonds

About 2H-benzotriazole;1H-indazole

2H-benzotriazole;1H-indazole (PubChem CID 67829354) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2H-benzotriazole;1H-indazole.

Molecular Properties

Compound Name2H-benzotriazole;1H-indazole
PubChem CID67829354
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name2H-benzotriazole;1H-indazole
SMILESc1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1
InChIInChI=1S/C7H6N2.C6H5N3/c1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5(3-1)7-9-8-6/h1-5H,(H,8,9);1-4H,(H,7,8,9)
InChIKeyHJNAWGLDWOKLBZ-UHFFFAOYSA-N
XLogP2.52
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazole;1H-indazole?
The IUPAC name of 2H-benzotriazole;1H-indazole (CID 67829354) is 2H-benzotriazole;1H-indazole.
What is the SMILES notation for 2H-benzotriazole;1H-indazole?
The canonical SMILES for 2H-benzotriazole;1H-indazole is c1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazole;1H-indazole?
The InChIKey is HJNAWGLDWOKLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C6H5N3/c1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5(3-1)7-9-8-6/h1-5H,(H,8,9);1-4H,(H,7,8,9).
What are the key properties of 2H-benzotriazole;1H-indazole?
2H-benzotriazole;1H-indazole has a molecular weight of 237.27 g/mol, XLogP of 2.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazole;1H-indazole is sourced from PubChem (CID 67829354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).