6-(2-methylpropyl)-1,2,3,4-benzotetrazine

C10H12N4 — CID 138666997

IUPAC6-(2-methylpropyl)-1,2,3,4-benzotetrazine
SMILESCC(C)Cc1ccc2nnnnc2c1
InChIInChI=1S/C10H12N4/c1-7(2)5-8-3-4-9-10(6-8)12-14-13-11-9/h3-4,6-7H,5H2,1-2H3
InChIKeyWXZRIXIATRWQQT-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.62
Rot. Bonds2

About 6-(2-methylpropyl)-1,2,3,4-benzotetrazine

6-(2-methylpropyl)-1,2,3,4-benzotetrazine (PubChem CID 138666997) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-(2-methylpropyl)-1,2,3,4-benzotetrazine.

Molecular Properties

Compound Name6-(2-methylpropyl)-1,2,3,4-benzotetrazine
PubChem CID138666997
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name6-(2-methylpropyl)-1,2,3,4-benzotetrazine
SMILESCC(C)Cc1ccc2nnnnc2c1
InChIInChI=1S/C10H12N4/c1-7(2)5-8-3-4-9-10(6-8)12-14-13-11-9/h3-4,6-7H,5H2,1-2H3
InChIKeyWXZRIXIATRWQQT-UHFFFAOYSA-N
XLogP1.62
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-1,2,3,4-benzotetrazine?
The IUPAC name of 6-(2-methylpropyl)-1,2,3,4-benzotetrazine (CID 138666997) is 6-(2-methylpropyl)-1,2,3,4-benzotetrazine.
What is the SMILES notation for 6-(2-methylpropyl)-1,2,3,4-benzotetrazine?
The canonical SMILES for 6-(2-methylpropyl)-1,2,3,4-benzotetrazine is CC(C)Cc1ccc2nnnnc2c1.
What is the InChIKey of 6-(2-methylpropyl)-1,2,3,4-benzotetrazine?
The InChIKey is WXZRIXIATRWQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-7(2)5-8-3-4-9-10(6-8)12-14-13-11-9/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)-1,2,3,4-benzotetrazine?
6-(2-methylpropyl)-1,2,3,4-benzotetrazine has a molecular weight of 188.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-1,2,3,4-benzotetrazine is sourced from PubChem (CID 138666997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).