1-propan-2-yl-5-(2H-tetrazol-5-yl)benzotriazole

C10H11N7 — CID 11586662

IUPAC1-propan-2-yl-5-(2H-tetrazol-5-yl)benzotriazole
SMILESCC(C)n1nnc2cc(-c3nn[nH]n3)ccc21
InChIInChI=1S/C10H11N7/c1-6(2)17-9-4-3-7(5-8(9)11-16-17)10-12-14-15-13-10/h3-6H,1-2H3,(H,12,13,14,15)
InChIKeyAHFKUYRXPMXJCL-UHFFFAOYSA-N
MW229.25 g/mol
LogP1.19
Rot. Bonds2

About 1-propan-2-yl-5-(2H-tetrazol-5-yl)benzotriazole

1-propan-2-yl-5-(2H-tetrazol-5-yl)benzotriazole (PubChem CID 11586662) has the molecular formula C10H11N7 and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-propan-2-yl-5-(2H-tetrazol-5-yl)benzotriazole.

Molecular Properties

Compound Name1-propan-2-yl-5-(2H-tetrazol-5-yl)benzotriazole
PubChem CID11586662
Molecular FormulaC10H11N7
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name1-propan-2-yl-5-(2H-tetrazol-5-yl)benzotriazole
SMILESCC(C)n1nnc2cc(-c3nn[nH]n3)ccc21
InChIInChI=1S/C10H11N7/c1-6(2)17-9-4-3-7(5-8(9)11-16-17)10-12-14-15-13-10/h3-6H,1-2H3,(H,12,13,14,15)
InChIKeyAHFKUYRXPMXJCL-UHFFFAOYSA-N
XLogP1.19
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-(2H-tetrazol-5-yl)benzotriazole?
The IUPAC name of 1-propan-2-yl-5-(2H-tetrazol-5-yl)benzotriazole (CID 11586662) is 1-propan-2-yl-5-(2H-tetrazol-5-yl)benzotriazole.
What is the SMILES notation for 1-propan-2-yl-5-(2H-tetrazol-5-yl)benzotriazole?
The canonical SMILES for 1-propan-2-yl-5-(2H-tetrazol-5-yl)benzotriazole is CC(C)n1nnc2cc(-c3nn[nH]n3)ccc21.
What is the InChIKey of 1-propan-2-yl-5-(2H-tetrazol-5-yl)benzotriazole?
The InChIKey is AHFKUYRXPMXJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7/c1-6(2)17-9-4-3-7(5-8(9)11-16-17)10-12-14-15-13-10/h3-6H,1-2H3,(H,12,13,14,15).
What are the key properties of 1-propan-2-yl-5-(2H-tetrazol-5-yl)benzotriazole?
1-propan-2-yl-5-(2H-tetrazol-5-yl)benzotriazole has a molecular weight of 229.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-(2H-tetrazol-5-yl)benzotriazole is sourced from PubChem (CID 11586662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).