1-(2H-tetrazol-5-ylmethyl)benzotriazole

C8H7N7 — CID 3539628

IUPAC1-(2H-tetrazol-5-ylmethyl)benzotriazole
SMILESc1ccc2c(c1)nnn2Cc1nn[nH]n1
InChIInChI=1S/C8H7N7/c1-2-4-7-6(3-1)9-14-15(7)5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChIKeyOZDQNOGLTIKQLU-UHFFFAOYSA-N
MW201.19 g/mol
LogP-0.01
Rot. Bonds2

About 1-(2H-tetrazol-5-ylmethyl)benzotriazole

1-(2H-tetrazol-5-ylmethyl)benzotriazole (PubChem CID 3539628) has the molecular formula C8H7N7 and a molecular weight of 201.19 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-ylmethyl)benzotriazole.

Molecular Properties

Compound Name1-(2H-tetrazol-5-ylmethyl)benzotriazole
PubChem CID3539628
Molecular FormulaC8H7N7
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name1-(2H-tetrazol-5-ylmethyl)benzotriazole
SMILESc1ccc2c(c1)nnn2Cc1nn[nH]n1
InChIInChI=1S/C8H7N7/c1-2-4-7-6(3-1)9-14-15(7)5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChIKeyOZDQNOGLTIKQLU-UHFFFAOYSA-N
XLogP-0.01
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-tetrazol-5-ylmethyl)benzotriazole?
The IUPAC name of 1-(2H-tetrazol-5-ylmethyl)benzotriazole (CID 3539628) is 1-(2H-tetrazol-5-ylmethyl)benzotriazole.
What is the SMILES notation for 1-(2H-tetrazol-5-ylmethyl)benzotriazole?
The canonical SMILES for 1-(2H-tetrazol-5-ylmethyl)benzotriazole is c1ccc2c(c1)nnn2Cc1nn[nH]n1.
What is the InChIKey of 1-(2H-tetrazol-5-ylmethyl)benzotriazole?
The InChIKey is OZDQNOGLTIKQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N7/c1-2-4-7-6(3-1)9-14-15(7)5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13).
What are the key properties of 1-(2H-tetrazol-5-ylmethyl)benzotriazole?
1-(2H-tetrazol-5-ylmethyl)benzotriazole has a molecular weight of 201.19 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-tetrazol-5-ylmethyl)benzotriazole is sourced from PubChem (CID 3539628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).