1-methyl-6-(tetrazol-2-ylmethyl)benzotriazole

C9H9N7 — CID 19981455

IUPAC1-methyl-6-(tetrazol-2-ylmethyl)benzotriazole
SMILESCn1nnc2ccc(Cn3ncnn3)cc21
InChIInChI=1S/C9H9N7/c1-15-9-4-7(2-3-8(9)12-14-15)5-16-11-6-10-13-16/h2-4,6H,5H2,1H3
InChIKeyXZBPQCUSXDBVKQ-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.00
Rot. Bonds2

About 1-methyl-6-(tetrazol-2-ylmethyl)benzotriazole

1-methyl-6-(tetrazol-2-ylmethyl)benzotriazole (PubChem CID 19981455) has the molecular formula C9H9N7 and a molecular weight of 215.22 g/mol. Its IUPAC name is 1-methyl-6-(tetrazol-2-ylmethyl)benzotriazole.

Molecular Properties

Compound Name1-methyl-6-(tetrazol-2-ylmethyl)benzotriazole
PubChem CID19981455
Molecular FormulaC9H9N7
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name1-methyl-6-(tetrazol-2-ylmethyl)benzotriazole
SMILESCn1nnc2ccc(Cn3ncnn3)cc21
InChIInChI=1S/C9H9N7/c1-15-9-4-7(2-3-8(9)12-14-15)5-16-11-6-10-13-16/h2-4,6H,5H2,1H3
InChIKeyXZBPQCUSXDBVKQ-UHFFFAOYSA-N
XLogP0.00
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(tetrazol-2-ylmethyl)benzotriazole?
The IUPAC name of 1-methyl-6-(tetrazol-2-ylmethyl)benzotriazole (CID 19981455) is 1-methyl-6-(tetrazol-2-ylmethyl)benzotriazole.
What is the SMILES notation for 1-methyl-6-(tetrazol-2-ylmethyl)benzotriazole?
The canonical SMILES for 1-methyl-6-(tetrazol-2-ylmethyl)benzotriazole is Cn1nnc2ccc(Cn3ncnn3)cc21.
What is the InChIKey of 1-methyl-6-(tetrazol-2-ylmethyl)benzotriazole?
The InChIKey is XZBPQCUSXDBVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7/c1-15-9-4-7(2-3-8(9)12-14-15)5-16-11-6-10-13-16/h2-4,6H,5H2,1H3.
What are the key properties of 1-methyl-6-(tetrazol-2-ylmethyl)benzotriazole?
1-methyl-6-(tetrazol-2-ylmethyl)benzotriazole has a molecular weight of 215.22 g/mol, XLogP of 0.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(tetrazol-2-ylmethyl)benzotriazole is sourced from PubChem (CID 19981455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).